data_2n1t_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 2n1t _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 ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 115.844 1.794 . . . . 25.0 115.844 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HZ1' ' CG ' ' D' ' 179' ' ' ASP . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CG ' HH21 ' B' ' 232' ' ' ARG . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 232' ' ' ARG . . . . . 0.455 HH21 ' CG ' ' A' ' 64' ' ' ASP . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 234' ' ' GLU . . . . . 0.501 ' CD ' ' HZ1' ' E' ' 327' ' ' LYS . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.888 0 CA-C-O 119.831 -0.427 . . . . 25.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 179' ' ' ASP . . . . . 0.503 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt . . . . . 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 327' ' ' LYS . . . . . 0.501 ' HZ1' ' CD ' ' B' ' 234' ' ' GLU . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.275 -0.269 . . . . 25.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.584 HE22 ' HG ' ' B' ' 208' ' ' SER . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.016 -0.364 . . . . 25.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' SER . . . . . 0.584 ' HG ' HE22 ' A' ' 36' ' ' GLN . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 119.295 -0.383 . . . . 25.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp . . . . . 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 118.683 -0.675 . . . . 25.0 112.091 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.417 -0.325 . . . . 25.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 275' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 297' ' ' LYS . . . . . 0.445 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.901 0.382 . . . . 25.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.061 -0.495 . . . . 25.0 109.979 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 CA-C-O 119.23 -0.761 . . . . 25.0 113.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 119.855 -0.117 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 308' ' ' SER . . . . . 0.465 ' HG ' ' HD3' ' E' ' 310' ' ' PRO . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 310' ' ' PRO . . . . . 0.465 ' HD3' ' HG ' ' E' ' 308' ' ' SER . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.821 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.112 -0.827 . . . . 25.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 118.452 -0.785 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.035 0.445 . . . . 25.0 109.826 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.736 -0.65 . . . . 25.0 111.845 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.47 -0.652 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 118.782 -0.628 . . . . 25.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 356' ' ' GLN . . . . . 0.421 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 379' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 380' ' ' TYR . . . . . 0.421 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 390' ' ' TRP . . . . . 0.431 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.51 125.22 23.52 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -29.3 131.44 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.43 3.492 . . . . 25.0 115.844 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.503 ' HZ1' ' CG ' ' D' ' 179' ' ' ASP . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CG ' HH21 ' B' ' 232' ' ' ARG . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.91 -39.69 95.32 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.485 ' HZ2' ' CG ' ' B' ' 250' ' ' ASP . 39.7 ttpt -58.83 -44.63 90.94 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.929 -1.107 . . . . 25.0 113.019 172.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -64.59 -41.87 95.97 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.747 -1.221 . . . . 25.0 112.799 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.416 -1.427 . . . . 25.0 114.023 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.05 -22.57 55.54 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.3 -1.5 . . . . 25.0 113.344 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -62.67 -46.21 89.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.134 -0.979 . . . . 25.0 111.492 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -64.81 -37.66 88.38 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.74 -39.18 83.87 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.692 1.597 . . . . 25.0 114.623 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.15 2.53 37.45 Favored 'General case' 0 C--N 1.346 0.417 0 O-C-N 120.856 -1.153 . . . . 25.0 113.507 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.9 tp . . . . . 0 C--O 1.263 1.786 0 N-CA-C 115.107 1.521 . . . . 25.0 115.107 -173.512 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -59.84 140.73 56.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.825 2.45 . . . . 25.0 114.425 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -139.58 131.33 27.45 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.591 -1.318 . . . . 25.0 109.881 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.39 83.04 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 116.399 2.0 . . . . 25.0 116.399 -167.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.08 -43.84 94.2 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.897 -1.127 . . . . 25.0 112.13 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 13.6 t -59.24 -42.91 92.21 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.162 0.985 . . . . 25.0 112.869 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.67 -48.07 78.67 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.54 -1.35 . . . . 25.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 232' ' ' ARG . . . . . 0.455 HH21 ' CG ' ' A' ' 64' ' ' ASP . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 234' ' ' GLU . . . . . 0.501 ' CD ' ' HZ1' ' E' ' 327' ' ' LYS . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . 0.485 ' CG ' ' HZ2' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -60.56 -25.85 66.49 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -71.53 -12.71 61.51 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -76.99 111.11 12.2 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.227 -1.546 . . . . 25.0 112.355 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.258 1.511 0 C-N-CA 124.053 0.941 . . . . 25.0 111.408 172.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.361 1.615 . . . . 25.0 115.361 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -69.0 -47.19 66.11 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -91.68 9.94 30.34 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.862 -1.774 . . . . 25.0 112.065 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -76.6 -18.39 58.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.705 1.602 . . . . 25.0 113.378 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 40.8 tp -170.72 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.22 -0.925 . . . . 25.0 112.767 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -41.78 92.06 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -164.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.54 -40.9 98.3 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-O 122.591 1.186 . . . . 25.0 113.925 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 82.5 mtp -63.26 -42.38 99.15 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.571 1.549 . . . . 25.0 113.032 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.64 -45.31 93.4 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 123.764 0.826 . . . . 25.0 112.933 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.27 -34.32 72.64 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.28 -1.512 . . . . 25.0 113.243 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -60.39 -45.69 92.64 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.805 -1.809 . . . . 25.0 112.449 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.92 97.53 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.361 1.065 . . . . 25.0 113.816 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.19 -42.97 99.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.56 45.18 3.21 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 116.481 1.353 . . . . 25.0 116.481 -165.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 124.481 1.112 . . . . 25.0 110.762 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 117.721 1.848 . . . . 25.0 117.721 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.67 26.83 4.32 Favored Glycine 0 C--N 1.347 1.154 0 O-C-N 121.276 -1.132 . . . . 25.0 112.035 -175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.53 -0.96 9.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 10.9 t -157.34 171.12 20.97 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.919 -1.113 . . . . 25.0 108.005 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -105.61 6.28 31.97 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 126.205 1.802 . . . . 25.0 111.582 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -59.81 149.76 30.24 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.42 78.2 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.733 -1.229 . . . . 25.0 112.269 170.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -56.06 -42.11 76.13 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.912 1.685 . . . . 25.0 114.034 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 179' ' ' ASP . . . . . 0.503 ' CG ' ' HZ1' ' A' ' 59' ' ' LYS . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -73.41 -12.03 60.67 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.19 3.9 54.62 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.369 -1.457 . . . . 25.0 111.595 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 71.0 mt -98.04 138.13 35.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.27 -1.519 . . . . 25.0 110.763 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.803 0 N-CA-C 109.656 -1.378 . . . . 25.0 109.656 -173.347 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 263' ' ' SER . . . . . 0.407 ' H1 ' ' CD ' ' E' ' 386' ' ' GLU . 6.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 112.464 0.542 . . . . 25.0 112.464 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -75.15 -0.68 61.68 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 117.028 1.571 . . . . 25.0 117.028 -165.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -79.64 -7.35 88.56 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 121.166 -1.197 . . . . 25.0 113.94 169.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.01 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 121.151 -1.205 . . . . 25.0 113.396 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -77.22 -6.47 86.3 Favored Glycine 0 C--N 1.345 1.077 0 O-C-N 120.257 -1.731 . . . . 25.0 114.533 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -74.52 -13.36 81.91 Favored Glycine 0 C--N 1.347 1.157 0 O-C-N 120.833 -1.392 . . . . 25.0 115.155 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.87 -38.32 78.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 121.197 -1.178 . . . . 25.0 112.631 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.96 -37.77 84.87 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 125.54 1.536 . . . . 25.0 113.056 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -95.84 0.47 52.2 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.584 1.154 . . . . 25.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 80.3 mttt 57.73 49.37 12.39 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.907 1.683 . . . . 25.0 114.531 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.32 -38.52 91.32 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . 0.501 ' HZ1' ' CD ' ' B' ' 234' ' ' GLU . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 386' ' ' GLU . . . . . 0.407 ' CD ' ' H1 ' ' E' ' 263' ' ' SER . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.516 0.198 . . . . 25.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -116.58 133.47 55.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.082 1.353 . . . . 25.0 109.363 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p -79.86 152.91 29.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.389 1.476 . . . . 25.0 110.275 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.584 HE22 ' HG ' ' B' ' 208' ' ' SER . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt -72.21 -40.8 67.54 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.39 -33.87 75.03 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.287 1.035 . . . . 25.0 110.794 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -72.99 -32.99 65.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.444 0.698 . . . . 25.0 111.33 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -77.47 -32.67 54.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.663 1.185 . . . . 25.0 112.006 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -116.89 -73.42 0.64 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 123.856 0.862 . . . . 25.0 111.297 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -65.48 -39.76 92.32 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -75.09 -28.08 60.14 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.041 1.336 . . . . 25.0 111.672 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.15 -14.92 61.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.753 1.221 . . . . 25.0 111.682 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.4 8.14 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.997 1.719 . . . . 25.0 112.281 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.437 1.095 . . . . 25.0 110.0 177.142 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.626 0.251 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.53 141.46 46.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.111 0.964 . . . . 25.0 109.784 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.25 -38.6 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.09 0.956 . . . . 25.0 111.137 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.43 60.81 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.04 0.936 . . . . 25.0 113.019 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.92 8.47 12.59 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 25.0 111.71 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 70.7 m -64.71 -30.97 72.0 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.348 0.976 . . . . 25.0 113.579 -170.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -75.95 -35.23 59.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.96 0.8 . . . . 25.0 111.072 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.3 -32.97 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.461 1.504 . . . . 25.0 110.016 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' SER . . . . . 0.584 ' HG ' HE22 ' A' ' 36' ' ' GLN . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.43 -2.98 41.05 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -137.89 15.11 2.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.496 1.518 . . . . 25.0 111.869 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.07 -25.0 67.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.848 0.859 . . . . 25.0 113.278 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.926 1.291 . . . . 25.0 109.807 -177.613 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -73.01 -26.33 61.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.096 0.959 . . . . 25.0 111.762 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -64.59 -34.55 78.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.76 0.824 . . . . 25.0 111.66 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.89 -32.45 57.45 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.734 0.697 . . . . 25.0 111.538 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -31.08 61.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.032 . . . . 25.0 111.5 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -31.84 34.27 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.562 1.145 . . . . 25.0 111.323 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -77.36 -24.31 50.69 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.131 0.972 . . . . 25.0 111.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 59.8 ttp -75.34 -35.11 61.24 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.531 0.732 . . . . 25.0 110.884 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -78.75 -28.91 44.9 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.39 0.676 . . . . 25.0 111.235 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -69.99 -36.87 75.51 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.598 1.159 . . . . 25.0 110.618 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.98 -29.39 39.55 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.671 1.189 . . . . 25.0 111.209 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -32.7 64.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.194 0.906 . . . . 25.0 111.542 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.06 130.93 44.45 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.21 102.82 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 107.72 -2.152 . . . . 25.0 107.72 -164.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 tptt . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.833 -1.08 . . . . 25.0 110.927 -168.728 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 111.277 -0.729 . . . . 25.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.04 138.8 7.3 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t -139.14 -52.48 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 38.8 p -84.76 153.68 22.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.282 1.033 . . . . 25.0 110.976 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -82.23 -5.44 58.52 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.401 1.08 . . . . 25.0 112.871 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.17 147.17 42.84 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.585 1.154 . . . . 25.0 111.219 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.02 62.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.625 1.17 . . . . 25.0 113.309 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.83 -23.7 66.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 25.0 112.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -68.03 -17.43 64.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 87.6 mmm -97.36 6.7 47.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.555 1.542 . . . . 25.0 111.922 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 91.0 mt -127.91 159.6 34.42 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.41 1.484 . . . . 25.0 111.028 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.443 -1.754 . . . . 25.0 110.405 174.34 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.703 0.287 . . . . 25.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -157.08 153.17 24.47 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.584 1.087 . . . . 25.0 111.317 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -89.89 -134.4 5.49 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.902 1.239 . . . . 25.0 111.535 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -90.67 -176.14 44.31 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.118 1.342 . . . . 25.0 112.994 -172.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 86.95 130.36 2.91 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.01 1.291 . . . . 25.0 111.493 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -96.22 155.91 21.14 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.582 1.086 . . . . 25.0 111.227 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 14.6 tt -72.54 -31.64 38.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.027 0.931 . . . . 25.0 110.947 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.34 157.73 19.82 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.079 1.352 . . . . 25.0 109.283 167.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.52 132.31 50.89 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.629 0.771 . . . . 25.0 109.728 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.55 139.09 53.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.709 0.804 . . . . 25.0 110.386 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp -82.57 -24.78 33.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.456 0.702 . . . . 25.0 110.31 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 275' ' ' ASP . . . . . 0.445 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 297' ' ' LYS . . . . . 0.445 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.27 4.77 14.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.337 1.455 . . . . 25.0 113.438 -172.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p -64.83 155.17 34.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.522 1.129 . . . . 25.0 111.673 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.74 -24.88 35.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -68.75 -37.08 79.14 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.296 1.038 . . . . 25.0 110.634 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -68.67 -34.62 76.0 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.728 0.811 . . . . 25.0 111.032 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.3 -45.2 66.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.856 -0.592 . . . . 25.0 110.873 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.28 -15.62 58.57 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -76.33 -45.78 30.63 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.988 0.813 . . . . 25.0 110.442 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -78.1 -31.94 50.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.547 1.139 . . . . 25.0 112.853 -168.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.95 -18.26 56.24 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.21 0.604 . . . . 25.0 112.427 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -104.02 1.7 31.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.452 1.501 . . . . 25.0 112.048 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.808 -1.091 . . . . 25.0 109.73 175.186 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.636 0.255 . . . . 25.0 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.38 165.06 25.77 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.655 0.782 . . . . 25.0 111.233 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -60.01 -30.57 69.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.122 1.369 . . . . 25.0 113.898 -167.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 -38.65 65.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 25.0 112.349 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 49.5 tp -80.53 -29.24 37.2 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.574 0.75 . . . . 25.0 110.984 174.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.1 m -68.96 -20.03 64.18 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.08 0.952 . . . . 25.0 112.213 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.08 -28.4 65.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.13 0.877 . . . . 25.0 111.318 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt -93.69 -28.04 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.628 1.571 . . . . 25.0 109.979 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -72.9 -19.6 61.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -86.41 -11.05 53.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.159 -0.924 . . . . 25.0 113.132 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -67.95 148.75 50.66 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 119.586 1.085 . . . . 25.0 111.551 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.956 1.302 . . . . 25.0 109.043 172.24 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.429 -0.319 . . . . 25.0 110.729 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -64.31 -40.29 95.63 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.102 0.961 . . . . 25.0 111.944 -168.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.07 -27.66 61.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.461 0.705 . . . . 25.0 112.423 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.6 -34.87 62.95 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.421 0.689 . . . . 25.0 110.839 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.09 -29.52 39.08 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.638 1.175 . . . . 25.0 111.309 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.35 -34.71 65.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.488 1.115 . . . . 25.0 110.633 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -77.09 -26.15 53.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.237 1.015 . . . . 25.0 111.466 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.46 -40.45 70.29 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.563 0.745 . . . . 25.0 110.283 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.45 -18.78 51.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.476 1.11 . . . . 25.0 112.196 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttm105 -77.39 -36.7 53.22 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.212 1.005 . . . . 25.0 109.989 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.13 -34.02 65.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.359 1.064 . . . . 25.0 110.873 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.98 83.11 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.505 1.122 . . . . 25.0 111.667 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.72 128.96 37.96 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.33 114.6 0.29 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 108.393 -1.883 . . . . 25.0 108.393 -167.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.76 -1.114 . . . . 25.0 109.797 -167.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.717 -0.553 . . . . 25.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.34 21.12 67.87 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.029 0.823 . . . . 25.0 113.263 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p -170.32 -38.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 9.2 m -75.29 153.3 38.0 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.136 0.975 . . . . 25.0 110.701 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.62 -37.52 81.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.732 1.613 . . . . 25.0 113.43 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -88.38 154.64 20.22 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.579 0.752 . . . . 25.0 111.697 -172.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.31 0.6 28.25 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.469 1.507 . . . . 25.0 113.784 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -72.21 -1.66 15.94 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.309 1.044 . . . . 25.0 113.177 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -71.18 -29.25 64.95 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 77.3 mtm -93.65 -6.38 46.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.906 1.282 . . . . 25.0 112.97 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.07 140.06 32.07 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.35 0.977 . . . . 25.0 110.025 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 117.672 -1.626 . . . . 25.0 110.42 177.427 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 81.2 -129.78 9.27 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 110.76 176.21 20.54 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.008 1.289 . . . . 25.0 112.427 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -83.55 -177.78 51.81 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.607 1.099 . . . . 25.0 113.161 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -88.69 -165.31 41.16 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.84 1.21 . . . . 25.0 112.582 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . 79.18 21.1 68.34 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.054 0.835 . . . . 25.0 112.636 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 50.2 pt -78.35 9.73 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.226 1.41 . . . . 25.0 114.018 -168.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 50.7 tp -148.14 -34.62 0.22 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.541 1.136 . . . . 25.0 110.955 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -161.98 137.89 7.69 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.011 1.324 . . . . 25.0 108.948 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -87.67 163.54 16.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.132 0.973 . . . . 25.0 111.455 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp -73.5 -9.91 59.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.024 0.93 . . . . 25.0 111.208 165.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 308' ' ' SER . . . . . 0.465 ' HG ' ' HD3' ' E' ' 310' ' ' PRO . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . 0.465 ' HD3' ' HG ' ' E' ' 308' ' ' SER . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.729 0.3 . . . . 25.0 110.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.55 136.39 39.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.143 0.977 . . . . 25.0 108.947 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -74.33 138.72 43.68 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.444 0.698 . . . . 25.0 109.676 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -71.36 -29.24 64.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.698 0.799 . . . . 25.0 110.572 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -74.78 -24.85 58.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.669 0.787 . . . . 25.0 111.634 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -85.08 -39.73 17.61 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.645 1.178 . . . . 25.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.48 -40.77 3.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -163.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -93.29 -26.18 17.43 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -69.72 -32.03 70.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.528 1.307 . . . . 25.0 114.528 -161.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -80.18 -17.59 51.99 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.222 0.609 . . . . 25.0 112.334 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -68.36 139.6 55.85 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 124.259 1.023 . . . . 25.0 110.803 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.54 1.136 . . . . 25.0 109.999 -178.273 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.606 0.241 . . . . 25.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -93.07 1.77 57.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.647 1.179 . . . . 25.0 113.539 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -63.61 -37.28 86.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.367 0.985 . . . . 25.0 112.649 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -77.5 -25.39 50.31 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.817 0.847 . . . . 25.0 112.501 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.99 -29.48 35.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.838 0.855 . . . . 25.0 110.811 172.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.2 m -70.31 -18.36 63.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.191 0.996 . . . . 25.0 111.725 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.78 -32.95 52.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.573 1.149 . . . . 25.0 110.98 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt -74.95 -33.62 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 25.0 109.344 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -75.35 -11.58 60.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.39 33.9 3.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.409 1.484 . . . . 25.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -61.11 -6.77 2.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.259 1.823 . . . . 25.0 115.166 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.27 1.428 . . . . 25.0 108.949 174.395 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 118.606 -0.711 . . . . 25.0 112.065 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -58.96 -40.47 84.84 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 117.943 -1.027 . . . . 25.0 112.669 -170.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -72.85 -31.75 64.96 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.324 0.966 . . . . 25.0 111.92 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.22 -43.33 82.27 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.53 0.605 . . . . 25.0 110.338 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 tp -71.47 -33.25 69.13 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.002 0.921 . . . . 25.0 111.607 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.92 -38.66 79.67 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.34 1.056 . . . . 25.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -73.92 -23.79 59.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.676 0.791 . . . . 25.0 112.06 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 72.2 mtm -84.34 -24.66 29.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.632 0.773 . . . . 25.0 111.934 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -83.3 -33.37 25.97 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.039 1.336 . . . . 25.0 111.228 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -72.28 -32.35 66.54 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.582 1.153 . . . . 25.0 110.764 174.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -78.08 -32.41 50.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.684 0.794 . . . . 25.0 110.88 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.0 66.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.286 0.948 . . . . 25.0 111.821 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.53 107.84 6.91 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.67 -153.8 46.57 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.935 1.255 . . . . 25.0 113.602 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.986 1.714 . . . . 25.0 108.441 176.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 110.997 -0.841 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 144.74 23.11 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.544 1.069 . . . . 25.0 112.375 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.96 -41.1 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 30.3 p -116.51 163.33 16.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.873 1.269 . . . . 25.0 111.433 -173.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -79.62 0.04 31.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.521 1.528 . . . . 25.0 113.123 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.03 141.18 57.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.742 1.617 . . . . 25.0 111.404 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.34 -17.93 55.86 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.333 1.053 . . . . 25.0 112.409 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -73.32 -25.03 60.47 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.067 0.947 . . . . 25.0 111.305 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -75.23 -27.15 59.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 85.6 mmm -91.65 20.35 5.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.037 1.335 . . . . 25.0 111.573 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.12 150.57 51.32 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.146 1.778 . . . . 25.0 109.12 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.331 -1.816 . . . . 25.0 110.506 177.86 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.017 0.437 . . . . 25.0 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -73.29 161.77 54.4 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.014 1.292 . . . . 25.0 112.405 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 170.35 -152.81 19.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.444 1.021 . . . . 25.0 111.581 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.79 30.82 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.144 0.878 . . . . 25.0 112.789 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 76.49 -172.79 54.58 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.477 1.037 . . . . 25.0 113.092 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.28 26.19 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.737 1.16 . . . . 25.0 111.691 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.43 -29.61 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.07 0.948 . . . . 25.0 111.901 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 72.9 mt -78.74 159.38 27.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.306 1.042 . . . . 25.0 110.103 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.01 133.44 54.6 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 25.0 110.519 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -70.5 154.97 41.31 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.621 1.168 . . . . 25.0 112.1 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.01 -36.64 56.15 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.656 0.782 . . . . 25.0 109.886 166.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.978 0.418 . . . . 25.0 111.946 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.61 154.18 40.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.391 1.077 . . . . 25.0 110.965 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -133.61 161.93 33.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.909 1.683 . . . . 25.0 109.826 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.06 -40.71 78.37 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -68.7 -26.28 65.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.06 1.344 . . . . 25.0 111.275 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -82.32 -27.75 32.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.088 0.858 . . . . 25.0 112.64 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -76.93 -51.12 11.75 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.074 0.852 . . . . 25.0 109.833 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -92.6 -74.55 0.52 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.772 0.829 . . . . 25.0 110.84 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -62.2 -34.63 76.82 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -170.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -75.45 -21.52 58.06 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.0 0.92 . . . . 25.0 112.158 -173.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -105.2 -10.84 16.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.15 1.38 . . . . 25.0 112.324 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -105.45 -37.29 6.87 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.533 1.133 . . . . 25.0 111.944 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.592 1.157 . . . . 25.0 108.932 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 121.201 0.524 . . . . 25.0 112.09 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -67.21 158.08 32.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.8 1.24 . . . . 25.0 111.724 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -64.45 158.55 23.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.506 . . . . 25.0 110.844 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -66.82 0.4 2.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.642 1.577 . . . . 25.0 114.103 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.12 -20.54 41.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.986 1.714 . . . . 25.0 111.443 162.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 93.3 p -67.27 -23.26 65.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.329 1.452 . . . . 25.0 113.273 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.4 -9.31 56.58 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.995 0.816 . . . . 25.0 112.163 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.96 -33.87 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.806 1.642 . . . . 25.0 108.579 172.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.9 -11.19 60.49 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -138.73 41.94 2.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.286 1.434 . . . . 25.0 109.903 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.61 -19.61 52.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.18 0.992 . . . . 25.0 112.438 170.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.04 1.736 . . . . 25.0 110.149 -174.426 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tmm? . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.128 -0.463 . . . . 25.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 mmm-85 -64.84 -31.55 72.83 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.469 1.107 . . . . 25.0 113.428 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -79.69 -32.39 41.4 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.892 0.769 . . . . 25.0 111.235 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.72 -29.21 63.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.686 0.675 . . . . 25.0 110.998 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -76.56 -35.49 58.18 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.046 1.339 . . . . 25.0 110.564 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.87 -34.63 66.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.965 0.906 . . . . 25.0 111.271 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.97 -24.45 48.1 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.262 1.025 . . . . 25.0 111.657 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -73.9 -40.9 62.85 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.9 0.88 . . . . 25.0 109.596 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -71.96 -32.88 67.72 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 125.171 1.389 . . . . 25.0 112.408 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.92 -28.33 29.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.934 0.894 . . . . 25.0 111.518 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -77.63 -32.64 53.53 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.685 0.794 . . . . 25.0 110.39 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -28.68 59.09 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.974 0.909 . . . . 25.0 111.845 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp -76.41 126.34 30.81 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.44 -137.21 24.47 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.083 1.353 . . . . 25.0 108.965 -178.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 N-CA-C 112.075 -0.41 . . . . 25.0 112.075 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -100.41 -171.42 29.44 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.772 1.177 . . . . 25.0 111.47 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.13 -41.24 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 70.7 p -97.42 142.45 29.26 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.308 1.043 . . . . 25.0 110.396 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -78.66 -12.05 60.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.279 1.032 . . . . 25.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.27 153.01 44.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.925 1.29 . . . . 25.0 111.98 -175.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.81 -19.33 63.48 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.969 1.307 . . . . 25.0 113.961 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -70.11 -18.85 63.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.811 0.844 . . . . 25.0 112.359 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.0 -26.07 66.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 78.4 mmm -107.29 6.07 28.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.587 1.555 . . . . 25.0 112.367 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.1 mt -135.21 161.77 34.43 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.288 1.035 . . . . 25.0 112.496 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.274 0 C-N-CA 125.402 1.477 . . . . 25.0 112.195 175.815 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.588 0.233 . . . . 25.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 83.14 174.21 50.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.059 0.838 . . . . 25.0 111.601 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -74.56 -9.87 82.36 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.564 -1.131 . . . . 25.0 114.108 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -76.98 135.61 17.07 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 118.528 1.164 . . . . 25.0 110.655 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -100.93 -172.87 28.99 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.901 1.239 . . . . 25.0 112.561 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -102.52 -161.04 26.02 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.04 1.305 . . . . 25.0 112.59 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.32 -27.34 23.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.271 1.428 . . . . 25.0 112.63 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.26 150.22 40.37 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.04 0.936 . . . . 25.0 111.058 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.35 139.38 55.87 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.192 0.997 . . . . 25.0 109.727 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.3 145.17 56.04 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.014 0.926 . . . . 25.0 112.15 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.87 -20.03 62.56 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.486 1.514 . . . . 25.0 111.6 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 356' ' ' GLN . . . . . 0.421 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 379' ' ' GLY . . . . . 0.431 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 380' ' ' TYR . . . . . 0.421 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 390' ' ' TRP . . . . . 0.431 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 115.844 1.794 . . . . 25.0 115.844 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.888 0 CA-C-O 119.831 -0.427 . . . . 25.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt . . . . . 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.275 -0.269 . . . . 25.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.016 -0.364 . . . . 25.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 119.295 -0.383 . . . . 25.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp . . . . . 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 118.683 -0.675 . . . . 25.0 112.091 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.417 -0.325 . . . . 25.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 275' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 297' ' ' LYS . . . . . 0.466 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.901 0.382 . . . . 25.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.061 -0.495 . . . . 25.0 109.979 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 248' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' C' ' 74' ' ' ALA . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' B' ' 248' ' ' VAL . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 CA-C-O 119.23 -0.761 . . . . 25.0 113.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 154' ' ' SER . . . . . 0.416 ' HA ' HG22 ' D' ' 157' ' ' ILE . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 157' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' D' ' 154' ' ' SER . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 119.855 -0.117 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 300' ' ' LYS . . . . . 0.444 ' H ' HG23 ' E' ' 373' ' ' ILE . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 308' ' ' SER . . . . . 0.453 ' H ' ' H ' ' E' ' 334' ' ' THR . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 334' ' ' THR . . . . . 0.453 ' H ' ' H ' ' E' ' 308' ' ' SER . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 373' ' ' ILE . . . . . 0.444 HG23 ' H ' ' E' ' 300' ' ' LYS . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 249' ' ' SER . . . . . 0.408 ' HA ' ' HE2' ' B' ' 252' ' ' LYS . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 252' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 249' ' ' SER . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.821 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.112 -0.827 . . . . 25.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 118.452 -0.785 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 379' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 390' ' ' TRP . . . . . 0.441 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.035 0.445 . . . . 25.0 109.826 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.736 -0.65 . . . . 25.0 111.845 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.47 -0.652 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 118.782 -0.628 . . . . 25.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 356' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 379' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 380' ' ' TYR . . . . . 0.502 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 390' ' ' TRP . . . . . 0.468 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.51 125.22 23.52 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -29.3 131.44 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.43 3.492 . . . . 25.0 115.844 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.91 -39.69 95.32 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.83 -44.63 90.94 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.929 -1.107 . . . . 25.0 113.019 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -64.59 -41.87 95.97 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.747 -1.221 . . . . 25.0 112.799 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.416 -1.427 . . . . 25.0 114.023 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.05 -22.57 55.54 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.3 -1.5 . . . . 25.0 113.344 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -62.67 -46.21 89.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.134 -0.979 . . . . 25.0 111.492 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -64.81 -37.66 88.38 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.74 -39.18 83.87 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.692 1.597 . . . . 25.0 114.623 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.15 2.53 37.45 Favored 'General case' 0 C--N 1.346 0.417 0 O-C-N 120.856 -1.153 . . . . 25.0 113.507 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.9 tp . . . . . 0 C--O 1.263 1.786 0 N-CA-C 115.107 1.521 . . . . 25.0 115.107 -173.512 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -59.84 140.73 56.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.825 2.45 . . . . 25.0 114.425 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -139.58 131.33 27.45 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.591 -1.318 . . . . 25.0 109.881 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.39 83.04 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 116.399 2.0 . . . . 25.0 116.399 -167.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.08 -43.84 94.2 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.897 -1.127 . . . . 25.0 112.13 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 13.6 t -59.24 -42.91 92.21 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.162 0.985 . . . . 25.0 112.869 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.67 -48.07 78.67 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.54 -1.35 . . . . 25.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -60.56 -25.85 66.49 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -71.53 -12.71 61.51 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -76.99 111.11 12.2 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.227 -1.546 . . . . 25.0 112.355 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.258 1.511 0 C-N-CA 124.053 0.941 . . . . 25.0 111.408 172.911 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.361 1.615 . . . . 25.0 115.361 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -69.0 -47.19 66.11 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -91.68 9.94 30.34 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.862 -1.774 . . . . 25.0 112.065 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -76.6 -18.39 58.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.705 1.602 . . . . 25.0 113.378 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 40.8 tp -170.72 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.22 -0.925 . . . . 25.0 112.767 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -41.78 92.06 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -164.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.54 -40.9 98.3 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-O 122.591 1.186 . . . . 25.0 113.925 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 82.5 mtp -63.26 -42.38 99.15 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.571 1.549 . . . . 25.0 113.032 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.64 -45.31 93.4 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 123.764 0.826 . . . . 25.0 112.933 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.27 -34.32 72.64 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.28 -1.512 . . . . 25.0 113.243 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -60.39 -45.69 92.64 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.805 -1.809 . . . . 25.0 112.449 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.92 97.53 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.361 1.065 . . . . 25.0 113.816 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.19 -42.97 99.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.56 45.18 3.21 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 116.481 1.353 . . . . 25.0 116.481 -165.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 124.481 1.112 . . . . 25.0 110.762 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 117.721 1.848 . . . . 25.0 117.721 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.67 26.83 4.32 Favored Glycine 0 C--N 1.347 1.154 0 O-C-N 121.276 -1.132 . . . . 25.0 112.035 -175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.53 -0.96 9.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 10.9 t -157.34 171.12 20.97 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.919 -1.113 . . . . 25.0 108.005 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -105.61 6.28 31.97 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 126.205 1.802 . . . . 25.0 111.582 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -59.81 149.76 30.24 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.42 78.2 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.733 -1.229 . . . . 25.0 112.269 170.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -56.06 -42.11 76.13 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.912 1.685 . . . . 25.0 114.034 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -73.41 -12.03 60.67 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.19 3.9 54.62 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.369 -1.457 . . . . 25.0 111.595 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 71.0 mt -98.04 138.13 35.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.27 -1.519 . . . . 25.0 110.763 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.803 0 N-CA-C 109.656 -1.378 . . . . 25.0 109.656 -173.347 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 112.464 0.542 . . . . 25.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -75.15 -0.68 61.68 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 117.028 1.571 . . . . 25.0 117.028 -165.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -79.64 -7.35 88.56 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 121.166 -1.197 . . . . 25.0 113.94 169.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.01 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 121.151 -1.205 . . . . 25.0 113.396 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -77.22 -6.47 86.3 Favored Glycine 0 C--N 1.345 1.077 0 O-C-N 120.257 -1.731 . . . . 25.0 114.533 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -74.52 -13.36 81.91 Favored Glycine 0 C--N 1.347 1.157 0 O-C-N 120.833 -1.392 . . . . 25.0 115.155 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.87 -38.32 78.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 121.197 -1.178 . . . . 25.0 112.631 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.96 -37.77 84.87 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 125.54 1.536 . . . . 25.0 113.056 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -95.84 0.47 52.2 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.584 1.154 . . . . 25.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 80.3 mttt 57.73 49.37 12.39 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.907 1.683 . . . . 25.0 114.531 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.32 -38.52 91.32 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.516 0.198 . . . . 25.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -116.58 133.47 55.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.082 1.353 . . . . 25.0 109.363 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p -79.86 152.91 29.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.389 1.476 . . . . 25.0 110.275 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt -72.21 -40.8 67.54 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.39 -33.87 75.03 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.287 1.035 . . . . 25.0 110.794 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -72.99 -32.99 65.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.444 0.698 . . . . 25.0 111.33 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -77.47 -32.67 54.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.663 1.185 . . . . 25.0 112.006 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -116.89 -73.42 0.64 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 123.856 0.862 . . . . 25.0 111.297 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -65.48 -39.76 92.32 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -75.09 -28.08 60.14 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.041 1.336 . . . . 25.0 111.672 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.15 -14.92 61.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.753 1.221 . . . . 25.0 111.682 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.4 8.14 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.997 1.719 . . . . 25.0 112.281 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.437 1.095 . . . . 25.0 110.0 177.142 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.626 0.251 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.53 141.46 46.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.111 0.964 . . . . 25.0 109.784 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.25 -38.6 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.09 0.956 . . . . 25.0 111.137 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.43 60.81 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.04 0.936 . . . . 25.0 113.019 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.92 8.47 12.59 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 25.0 111.71 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 70.7 m -64.71 -30.97 72.0 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.348 0.976 . . . . 25.0 113.579 -170.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -75.95 -35.23 59.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.96 0.8 . . . . 25.0 111.072 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.3 -32.97 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.461 1.504 . . . . 25.0 110.016 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.43 -2.98 41.05 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -137.89 15.11 2.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.496 1.518 . . . . 25.0 111.869 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.07 -25.0 67.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.848 0.859 . . . . 25.0 113.278 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.926 1.291 . . . . 25.0 109.807 -177.613 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -73.01 -26.33 61.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.096 0.959 . . . . 25.0 111.762 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -64.59 -34.55 78.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.76 0.824 . . . . 25.0 111.66 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.89 -32.45 57.45 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.734 0.697 . . . . 25.0 111.538 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -31.08 61.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.032 . . . . 25.0 111.5 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -31.84 34.27 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.562 1.145 . . . . 25.0 111.323 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -77.36 -24.31 50.69 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.131 0.972 . . . . 25.0 111.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 59.8 ttp -75.34 -35.11 61.24 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.531 0.732 . . . . 25.0 110.884 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -78.75 -28.91 44.9 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.39 0.676 . . . . 25.0 111.235 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -69.99 -36.87 75.51 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.598 1.159 . . . . 25.0 110.618 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.98 -29.39 39.55 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.671 1.189 . . . . 25.0 111.209 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -32.7 64.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.194 0.906 . . . . 25.0 111.542 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.06 130.93 44.45 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.21 102.82 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 107.72 -2.152 . . . . 25.0 107.72 -164.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 tptt . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.833 -1.08 . . . . 25.0 110.927 -168.728 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 111.277 -0.729 . . . . 25.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.04 138.8 7.3 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t -139.14 -52.48 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 38.8 p -84.76 153.68 22.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.282 1.033 . . . . 25.0 110.976 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -82.23 -5.44 58.52 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.401 1.08 . . . . 25.0 112.871 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.17 147.17 42.84 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.585 1.154 . . . . 25.0 111.219 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.02 62.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.625 1.17 . . . . 25.0 113.309 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.83 -23.7 66.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 25.0 112.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -68.03 -17.43 64.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 87.6 mmm -97.36 6.7 47.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.555 1.542 . . . . 25.0 111.922 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 91.0 mt -127.91 159.6 34.42 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.41 1.484 . . . . 25.0 111.028 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.443 -1.754 . . . . 25.0 110.405 174.34 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.703 0.287 . . . . 25.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -157.08 153.17 24.47 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.584 1.087 . . . . 25.0 111.317 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -89.89 -134.4 5.49 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.902 1.239 . . . . 25.0 111.535 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -90.67 -176.14 44.31 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.118 1.342 . . . . 25.0 112.994 -172.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 86.95 130.36 2.91 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.01 1.291 . . . . 25.0 111.493 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -96.22 155.91 21.14 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.582 1.086 . . . . 25.0 111.227 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 14.6 tt -72.54 -31.64 38.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.027 0.931 . . . . 25.0 110.947 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.34 157.73 19.82 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.079 1.352 . . . . 25.0 109.283 167.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.52 132.31 50.89 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.629 0.771 . . . . 25.0 109.728 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.55 139.09 53.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.709 0.804 . . . . 25.0 110.386 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp -82.57 -24.78 33.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.456 0.702 . . . . 25.0 110.31 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 275' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 297' ' ' LYS . . . . . 0.466 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.27 4.77 14.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.337 1.455 . . . . 25.0 113.438 -172.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p -64.83 155.17 34.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.522 1.129 . . . . 25.0 111.673 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.74 -24.88 35.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -68.75 -37.08 79.14 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.296 1.038 . . . . 25.0 110.634 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -68.67 -34.62 76.0 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.728 0.811 . . . . 25.0 111.032 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.3 -45.2 66.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.856 -0.592 . . . . 25.0 110.873 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.28 -15.62 58.57 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -76.33 -45.78 30.63 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.988 0.813 . . . . 25.0 110.442 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -78.1 -31.94 50.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.547 1.139 . . . . 25.0 112.853 -168.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.95 -18.26 56.24 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.21 0.604 . . . . 25.0 112.427 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -104.02 1.7 31.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.452 1.501 . . . . 25.0 112.048 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.808 -1.091 . . . . 25.0 109.73 175.186 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.636 0.255 . . . . 25.0 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.38 165.06 25.77 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.655 0.782 . . . . 25.0 111.233 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -60.01 -30.57 69.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.122 1.369 . . . . 25.0 113.898 -167.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 -38.65 65.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 25.0 112.349 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 49.5 tp -80.53 -29.24 37.2 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.574 0.75 . . . . 25.0 110.984 174.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.1 m -68.96 -20.03 64.18 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.08 0.952 . . . . 25.0 112.213 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.08 -28.4 65.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.13 0.877 . . . . 25.0 111.318 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt -93.69 -28.04 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.628 1.571 . . . . 25.0 109.979 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 248' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' C' ' 74' ' ' ALA . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -72.9 -19.6 61.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -86.41 -11.05 53.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.159 -0.924 . . . . 25.0 113.132 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -67.95 148.75 50.66 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 119.586 1.085 . . . . 25.0 111.551 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.956 1.302 . . . . 25.0 109.043 172.24 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.429 -0.319 . . . . 25.0 110.729 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -64.31 -40.29 95.63 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.102 0.961 . . . . 25.0 111.944 -168.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.07 -27.66 61.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.461 0.705 . . . . 25.0 112.423 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.6 -34.87 62.95 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.421 0.689 . . . . 25.0 110.839 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.09 -29.52 39.08 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.638 1.175 . . . . 25.0 111.309 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.35 -34.71 65.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.488 1.115 . . . . 25.0 110.633 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -77.09 -26.15 53.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.237 1.015 . . . . 25.0 111.466 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.46 -40.45 70.29 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.563 0.745 . . . . 25.0 110.283 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.45 -18.78 51.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.476 1.11 . . . . 25.0 112.196 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttm105 -77.39 -36.7 53.22 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.212 1.005 . . . . 25.0 109.989 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.13 -34.02 65.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.359 1.064 . . . . 25.0 110.873 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.98 83.11 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.505 1.122 . . . . 25.0 111.667 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' B' ' 248' ' ' VAL . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.72 128.96 37.96 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.33 114.6 0.29 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 108.393 -1.883 . . . . 25.0 108.393 -167.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.76 -1.114 . . . . 25.0 109.797 -167.887 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.717 -0.553 . . . . 25.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.34 21.12 67.87 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.029 0.823 . . . . 25.0 113.263 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p -170.32 -38.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 9.2 m -75.29 153.3 38.0 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.136 0.975 . . . . 25.0 110.701 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.62 -37.52 81.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.732 1.613 . . . . 25.0 113.43 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -88.38 154.64 20.22 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.579 0.752 . . . . 25.0 111.697 -172.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.31 0.6 28.25 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.469 1.507 . . . . 25.0 113.784 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -72.21 -1.66 15.94 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.309 1.044 . . . . 25.0 113.177 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 154' ' ' SER . . . . . 0.416 ' HA ' HG22 ' D' ' 157' ' ' ILE . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 157' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' D' ' 154' ' ' SER . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -71.18 -29.25 64.95 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 77.3 mtm -93.65 -6.38 46.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.906 1.282 . . . . 25.0 112.97 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.07 140.06 32.07 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.35 0.977 . . . . 25.0 110.025 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 117.672 -1.626 . . . . 25.0 110.42 177.427 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 81.2 -129.78 9.27 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 110.76 176.21 20.54 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.008 1.289 . . . . 25.0 112.427 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -83.55 -177.78 51.81 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.607 1.099 . . . . 25.0 113.161 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -88.69 -165.31 41.16 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.84 1.21 . . . . 25.0 112.582 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . 79.18 21.1 68.34 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.054 0.835 . . . . 25.0 112.636 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 50.2 pt -78.35 9.73 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.226 1.41 . . . . 25.0 114.018 -168.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 50.7 tp -148.14 -34.62 0.22 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.541 1.136 . . . . 25.0 110.955 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -161.98 137.89 7.69 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.011 1.324 . . . . 25.0 108.948 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -87.67 163.54 16.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.132 0.973 . . . . 25.0 111.455 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp -73.5 -9.91 59.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.024 0.93 . . . . 25.0 111.208 165.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 300' ' ' LYS . . . . . 0.444 ' H ' HG23 ' E' ' 373' ' ' ILE . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 308' ' ' SER . . . . . 0.453 ' H ' ' H ' ' E' ' 334' ' ' THR . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 334' ' ' THR . . . . . 0.453 ' H ' ' H ' ' E' ' 308' ' ' SER . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 373' ' ' ILE . . . . . 0.444 HG23 ' H ' ' E' ' 300' ' ' LYS . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.729 0.3 . . . . 25.0 110.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.55 136.39 39.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.143 0.977 . . . . 25.0 108.947 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -74.33 138.72 43.68 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.444 0.698 . . . . 25.0 109.676 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -71.36 -29.24 64.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.698 0.799 . . . . 25.0 110.572 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -74.78 -24.85 58.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.669 0.787 . . . . 25.0 111.634 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -85.08 -39.73 17.61 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.645 1.178 . . . . 25.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.48 -40.77 3.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -163.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -93.29 -26.18 17.43 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -69.72 -32.03 70.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.528 1.307 . . . . 25.0 114.528 -161.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -80.18 -17.59 51.99 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.222 0.609 . . . . 25.0 112.334 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -68.36 139.6 55.85 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 124.259 1.023 . . . . 25.0 110.803 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.54 1.136 . . . . 25.0 109.999 -178.273 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.606 0.241 . . . . 25.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -93.07 1.77 57.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.647 1.179 . . . . 25.0 113.539 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -63.61 -37.28 86.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.367 0.985 . . . . 25.0 112.649 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -77.5 -25.39 50.31 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.817 0.847 . . . . 25.0 112.501 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.99 -29.48 35.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.838 0.855 . . . . 25.0 110.811 172.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.2 m -70.31 -18.36 63.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.191 0.996 . . . . 25.0 111.725 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.78 -32.95 52.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.573 1.149 . . . . 25.0 110.98 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt -74.95 -33.62 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 25.0 109.344 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 249' ' ' SER . . . . . 0.408 ' HA ' ' HE2' ' B' ' 252' ' ' LYS . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 252' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 249' ' ' SER . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -75.35 -11.58 60.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.39 33.9 3.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.409 1.484 . . . . 25.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -61.11 -6.77 2.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.259 1.823 . . . . 25.0 115.166 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.27 1.428 . . . . 25.0 108.949 174.395 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 118.606 -0.711 . . . . 25.0 112.065 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -58.96 -40.47 84.84 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 117.943 -1.027 . . . . 25.0 112.669 -170.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -72.85 -31.75 64.96 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.324 0.966 . . . . 25.0 111.92 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.22 -43.33 82.27 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.53 0.605 . . . . 25.0 110.338 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 tp -71.47 -33.25 69.13 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.002 0.921 . . . . 25.0 111.607 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.92 -38.66 79.67 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.34 1.056 . . . . 25.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -73.92 -23.79 59.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.676 0.791 . . . . 25.0 112.06 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 72.2 mtm -84.34 -24.66 29.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.632 0.773 . . . . 25.0 111.934 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -83.3 -33.37 25.97 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.039 1.336 . . . . 25.0 111.228 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -72.28 -32.35 66.54 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.582 1.153 . . . . 25.0 110.764 174.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -78.08 -32.41 50.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.684 0.794 . . . . 25.0 110.88 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.0 66.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.286 0.948 . . . . 25.0 111.821 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.53 107.84 6.91 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.67 -153.8 46.57 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.935 1.255 . . . . 25.0 113.602 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.986 1.714 . . . . 25.0 108.441 176.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 110.997 -0.841 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 144.74 23.11 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.544 1.069 . . . . 25.0 112.375 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.96 -41.1 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 30.3 p -116.51 163.33 16.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.873 1.269 . . . . 25.0 111.433 -173.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -79.62 0.04 31.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.521 1.528 . . . . 25.0 113.123 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.03 141.18 57.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.742 1.617 . . . . 25.0 111.404 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.34 -17.93 55.86 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.333 1.053 . . . . 25.0 112.409 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -73.32 -25.03 60.47 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.067 0.947 . . . . 25.0 111.305 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -75.23 -27.15 59.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 85.6 mmm -91.65 20.35 5.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.037 1.335 . . . . 25.0 111.573 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.12 150.57 51.32 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.146 1.778 . . . . 25.0 109.12 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.331 -1.816 . . . . 25.0 110.506 177.86 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.017 0.437 . . . . 25.0 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -73.29 161.77 54.4 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.014 1.292 . . . . 25.0 112.405 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 170.35 -152.81 19.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.444 1.021 . . . . 25.0 111.581 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.79 30.82 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.144 0.878 . . . . 25.0 112.789 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 76.49 -172.79 54.58 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.477 1.037 . . . . 25.0 113.092 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.28 26.19 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.737 1.16 . . . . 25.0 111.691 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.43 -29.61 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.07 0.948 . . . . 25.0 111.901 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 72.9 mt -78.74 159.38 27.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.306 1.042 . . . . 25.0 110.103 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.01 133.44 54.6 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 25.0 110.519 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -70.5 154.97 41.31 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.621 1.168 . . . . 25.0 112.1 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.01 -36.64 56.15 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.656 0.782 . . . . 25.0 109.886 166.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 379' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 390' ' ' TRP . . . . . 0.441 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.978 0.418 . . . . 25.0 111.946 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.61 154.18 40.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.391 1.077 . . . . 25.0 110.965 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -133.61 161.93 33.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.909 1.683 . . . . 25.0 109.826 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.06 -40.71 78.37 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -68.7 -26.28 65.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.06 1.344 . . . . 25.0 111.275 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -82.32 -27.75 32.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.088 0.858 . . . . 25.0 112.64 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -76.93 -51.12 11.75 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.074 0.852 . . . . 25.0 109.833 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -92.6 -74.55 0.52 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.772 0.829 . . . . 25.0 110.84 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -62.2 -34.63 76.82 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -170.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -75.45 -21.52 58.06 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.0 0.92 . . . . 25.0 112.158 -173.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -105.2 -10.84 16.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.15 1.38 . . . . 25.0 112.324 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -105.45 -37.29 6.87 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.533 1.133 . . . . 25.0 111.944 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.592 1.157 . . . . 25.0 108.932 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 121.201 0.524 . . . . 25.0 112.09 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -67.21 158.08 32.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.8 1.24 . . . . 25.0 111.724 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -64.45 158.55 23.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.506 . . . . 25.0 110.844 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -66.82 0.4 2.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.642 1.577 . . . . 25.0 114.103 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.12 -20.54 41.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.986 1.714 . . . . 25.0 111.443 162.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 93.3 p -67.27 -23.26 65.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.329 1.452 . . . . 25.0 113.273 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.4 -9.31 56.58 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.995 0.816 . . . . 25.0 112.163 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.96 -33.87 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.806 1.642 . . . . 25.0 108.579 172.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.9 -11.19 60.49 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -138.73 41.94 2.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.286 1.434 . . . . 25.0 109.903 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.61 -19.61 52.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.18 0.992 . . . . 25.0 112.438 170.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.04 1.736 . . . . 25.0 110.149 -174.426 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tmm? . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.128 -0.463 . . . . 25.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 mmm-85 -64.84 -31.55 72.83 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.469 1.107 . . . . 25.0 113.428 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -79.69 -32.39 41.4 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.892 0.769 . . . . 25.0 111.235 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.72 -29.21 63.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.686 0.675 . . . . 25.0 110.998 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -76.56 -35.49 58.18 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.046 1.339 . . . . 25.0 110.564 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.87 -34.63 66.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.965 0.906 . . . . 25.0 111.271 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.97 -24.45 48.1 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.262 1.025 . . . . 25.0 111.657 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -73.9 -40.9 62.85 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.9 0.88 . . . . 25.0 109.596 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -71.96 -32.88 67.72 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 125.171 1.389 . . . . 25.0 112.408 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.92 -28.33 29.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.934 0.894 . . . . 25.0 111.518 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -77.63 -32.64 53.53 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.685 0.794 . . . . 25.0 110.39 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -28.68 59.09 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.974 0.909 . . . . 25.0 111.845 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp -76.41 126.34 30.81 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.44 -137.21 24.47 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.083 1.353 . . . . 25.0 108.965 -178.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 N-CA-C 112.075 -0.41 . . . . 25.0 112.075 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -100.41 -171.42 29.44 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.772 1.177 . . . . 25.0 111.47 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.13 -41.24 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 70.7 p -97.42 142.45 29.26 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.308 1.043 . . . . 25.0 110.396 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -78.66 -12.05 60.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.279 1.032 . . . . 25.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.27 153.01 44.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.925 1.29 . . . . 25.0 111.98 -175.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.81 -19.33 63.48 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.969 1.307 . . . . 25.0 113.961 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -70.11 -18.85 63.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.811 0.844 . . . . 25.0 112.359 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.0 -26.07 66.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 78.4 mmm -107.29 6.07 28.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.587 1.555 . . . . 25.0 112.367 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.1 mt -135.21 161.77 34.43 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.288 1.035 . . . . 25.0 112.496 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.274 0 C-N-CA 125.402 1.477 . . . . 25.0 112.195 175.815 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.588 0.233 . . . . 25.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 83.14 174.21 50.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.059 0.838 . . . . 25.0 111.601 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -74.56 -9.87 82.36 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.564 -1.131 . . . . 25.0 114.108 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -76.98 135.61 17.07 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 118.528 1.164 . . . . 25.0 110.655 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -100.93 -172.87 28.99 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.901 1.239 . . . . 25.0 112.561 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -102.52 -161.04 26.02 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.04 1.305 . . . . 25.0 112.59 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.32 -27.34 23.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.271 1.428 . . . . 25.0 112.63 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.26 150.22 40.37 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.04 0.936 . . . . 25.0 111.058 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.35 139.38 55.87 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.192 0.997 . . . . 25.0 109.727 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.3 145.17 56.04 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.014 0.926 . . . . 25.0 112.15 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.87 -20.03 62.56 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.486 1.514 . . . . 25.0 111.6 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 356' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 379' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 380' ' ' TYR . . . . . 0.502 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 390' ' ' TRP . . . . . 0.468 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.468 0.464 0 N-CA-C 115.844 1.794 . . . . 25.0 115.844 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp . . . . . 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt . . . . . 0 N--CA 1.463 0.183 0 N-CA-C 113.96 1.096 . . . . 25.0 113.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt . . . . . 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 113.816 1.043 . . . . 25.0 113.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.888 0 CA-C-O 119.831 -0.427 . . . . 25.0 112.035 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m . . . . . 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 114.034 1.124 . . . . 25.0 114.034 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt . . . . . 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt . . . . . 0 N--CA 1.457 -0.111 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 110.275 -0.269 . . . . 25.0 110.275 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 110.016 -0.364 . . . . 25.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.365 0 CA-C-O 119.295 -0.383 . . . . 25.0 111.542 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp . . . . . 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t . . . . . 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 . . . . . 0 CA--C 1.537 0.46 0 CA-C-O 118.683 -0.675 . . . . 25.0 112.091 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt . . . . . 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp . . . . . 0 CA--C 1.539 0.548 0 CA-C-O 119.417 -0.325 . . . . 25.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 275' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 297' ' ' LYS . . . . . 0.466 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 120.901 0.382 . . . . 25.0 111.673 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp . . . . . 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt . . . . . 0 CA--C 1.539 0.547 0 CA-C-O 119.061 -0.495 . . . . 25.0 109.979 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 248' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' C' ' 74' ' ' ALA . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt . . . . . 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 111.667 0.247 . . . . 25.0 111.667 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' B' ' 248' ' ' VAL . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.172 0 CA-C-O 119.23 -0.761 . . . . 25.0 113.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 . . . . . 0 CA--C 1.539 0.542 0 N-CA-C 113.177 0.806 . . . . 25.0 113.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 154' ' ' SER . . . . . 0.416 ' HA ' HG22 ' D' ' 157' ' ' ILE . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 157' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' D' ' 154' ' ' SER . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt . . . . . 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp . . . . . 0 CA--C 1.545 0.752 0 CA-C-O 119.855 -0.117 . . . . 25.0 111.208 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 300' ' ' LYS . . . . . 0.444 ' H ' HG23 ' E' ' 373' ' ' ILE . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 308' ' ' SER . . . . . 0.453 ' H ' ' H ' ' E' ' 334' ' ' THR . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 334' ' ' THR . . . . . 0.453 ' H ' ' H ' ' E' ' 308' ' ' SER . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 373' ' ' ILE . . . . . 0.444 HG23 ' H ' ' E' ' 300' ' ' LYS . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.53 0.184 0 N-CA-C 109.676 -0.49 . . . . 25.0 109.676 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt . . . . . 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt . . . . . 0 CA--C 1.542 0.651 0 N-CA-C 109.344 -0.613 . . . . 25.0 109.344 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 249' ' ' SER . . . . . 0.408 ' HA ' ' HE2' ' B' ' 252' ' ' LYS . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 252' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 249' ' ' SER . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp . . . . . 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.3 -0.381 . . . . 25.0 111.821 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 CA-C-O 119.112 -0.827 . . . . 25.0 112.375 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 118.452 -0.785 . . . . 25.0 111.305 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.886 -0.413 . . . . 25.0 109.886 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 379' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 390' ' ' TRP . . . . . 0.441 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 CA--C 1.535 0.375 0 CA-C-O 121.035 0.445 . . . . 25.0 109.826 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp . . . . . 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt . . . . . 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 118.736 -0.65 . . . . 25.0 111.845 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.47 -0.652 . . . . 25.0 111.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 . . . . . 0 CA--C 1.539 0.554 0 CA-C-O 118.782 -0.628 . . . . 25.0 112.359 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 356' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 379' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 380' ' ' TYR . . . . . 0.502 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 390' ' ' TRP . . . . . 0.468 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 . . . . . 0 N--CA 1.505 2.309 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 33.4 tp -63.51 125.22 23.52 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.3 m -29.3 131.44 0.06 Allowed 'General case' 0 C--N 1.354 0.764 0 C-N-CA 130.43 3.492 . . . . 25.0 115.844 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.9 t -130.9 163.41 27.52 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 120.56 -1.338 . . . . 25.0 111.436 -166.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -96.14 18.89 12.65 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -161.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.5 ttt85 -58.39 -36.38 73.45 Favored 'General case' 0 C--N 1.354 0.793 0 O-C-N 119.775 -1.828 . . . . 25.0 113.118 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -61.58 -38.43 87.52 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.521 1.528 . . . . 25.0 114.507 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.6 tp -65.75 -42.27 91.13 Favored 'General case' 0 C--N 1.348 0.505 0 O-C-N 119.61 -1.931 . . . . 25.0 112.455 170.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -62.34 -41.14 98.34 Favored 'General case' 0 C--N 1.351 0.653 0 C-N-CA 124.688 1.195 . . . . 25.0 112.796 174.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -57.98 -41.4 82.88 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 125.919 1.688 . . . . 25.0 112.334 171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 56.3 m -61.75 -41.89 98.26 Favored 'General case' 0 C--N 1.345 0.408 0 O-C-N 120.73 -1.231 . . . . 25.0 112.689 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -63.19 -43.37 98.42 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 121.278 -0.889 . . . . 25.0 112.624 171.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.07 87.03 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.623 -1.298 . . . . 25.0 114.152 176.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -61.19 -43.95 98.06 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.354 -1.466 . . . . 25.0 114.176 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . 0.263 13.4 p -67.95 -39.76 82.21 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 O-C-N 120.724 -1.235 . . . . 25.0 112.507 173.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.32 -42.76 92.16 Favored 'General case' 0 C--N 1.349 0.555 0 O-C-N 120.437 -1.415 . . . . 25.0 113.341 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -65.46 -45.76 82.49 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 120.572 -1.33 . . . . 25.0 114.022 175.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.95 -36.5 77.3 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 120.022 -1.674 . . . . 25.0 113.821 178.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.26 -40.16 82.92 Favored 'Isoleucine or valine' 0 C--N 1.352 0.704 0 O-C-N 120.332 -1.48 . . . . 25.0 113.04 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -60.76 -44.12 97.15 Favored 'General case' 0 C--N 1.353 0.719 0 O-C-N 120.486 -1.384 . . . . 25.0 112.457 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 49.5 mm -63.07 -42.72 97.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 97.1 mmm -63.25 -37.46 87.32 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 120.068 -1.645 . . . . 25.0 114.655 176.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -60.08 -41.99 93.64 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 121.033 -1.042 . . . . 25.0 113.1 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 57.7 t -63.96 -43.61 97.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.584 0 O-C-N 120.649 -1.282 . . . . 25.0 112.67 170.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -61.24 -42.06 97.97 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.203 -1.561 . . . . 25.0 114.327 178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.87 -36.3 77.35 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 O-C-N 120.098 -1.626 . . . . 25.0 114.258 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -62.75 -33.34 74.95 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 120.317 -1.49 . . . . 25.0 111.324 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 mttm -72.62 -21.05 61.17 Favored 'General case' 0 C--N 1.349 0.587 0 O-C-N 119.386 -2.072 . . . . 25.0 115.408 169.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.4 t -67.64 -39.79 82.87 Favored 'Isoleucine or valine' 0 C--N 1.346 0.42 0 O-C-N 118.844 -2.41 . . . . 25.0 111.156 163.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.54 -36.68 84.57 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 120.734 -1.229 . . . . 25.0 113.341 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.58 -44.95 89.95 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 120.127 -1.608 . . . . 25.0 111.644 168.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -61.62 -41.75 97.92 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 120.839 -1.163 . . . . 25.0 113.4 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.94 -46.78 87.19 Favored 'General case' 0 C--N 1.352 0.704 0 C-N-CA 125.65 1.58 . . . . 25.0 113.121 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -60.95 -44.24 97.56 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.843 -1.161 . . . . 25.0 112.69 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -68.09 -41.23 82.18 Favored 'General case' 0 N--CA 1.449 -0.485 0 O-C-N 120.806 -1.184 . . . . 25.0 113.31 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.11 -40.84 98.8 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.673 -1.267 . . . . 25.0 113.327 171.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -59.11 -45.24 91.4 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 124.434 1.094 . . . . 25.0 113.105 175.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -63.59 -40.96 98.28 Favored 'General case' 0 C--N 1.35 0.599 0 O-C-N 120.314 -1.491 . . . . 25.0 113.488 172.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 23.7 tp -60.99 -37.67 83.29 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.896 1.279 . . . . 25.0 113.818 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -57.54 -47.12 82.88 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 126.051 1.741 . . . . 25.0 113.409 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -61.88 -40.35 95.1 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.529 -1.357 . . . . 25.0 112.9 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.3 mmt-85 -65.12 -37.16 86.56 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.363 -1.461 . . . . 25.0 112.933 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.65 98.55 Favored 'General case' 0 C--N 1.349 0.568 0 N-CA-C 114.578 1.325 . . . . 25.0 114.578 174.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.77 -43.63 95.82 Favored 'General case' 0 C--N 1.355 0.819 0 O-C-N 120.56 -1.338 . . . . 25.0 112.318 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.3 96.63 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.951 -1.093 . . . . 25.0 113.377 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.4 tp -62.17 -45.93 91.2 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.866 -1.146 . . . . 25.0 113.145 172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -63.95 -44.82 91.66 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 120.876 -1.14 . . . . 25.0 113.64 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.47 -42.03 99.19 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.659 1.184 . . . . 25.0 113.038 174.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.63 -36.45 87.93 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 120.552 -1.343 . . . . 25.0 113.771 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.2 98.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 114.002 1.112 . . . . 25.0 114.002 175.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.4 t -61.07 -46.31 91.18 Favored 'General case' 0 C--N 1.356 0.86 0 O-C-N 121.223 -0.923 . . . . 25.0 112.326 173.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -61.37 -43.26 99.17 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 121.033 -1.042 . . . . 25.0 112.732 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -61.49 -43.61 98.55 Favored 'General case' 0 C--N 1.349 0.576 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -63.01 -45.54 91.87 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 120.545 -1.347 . . . . 25.0 113.295 175.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.4 m -62.61 -41.72 99.16 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.761 -1.212 . . . . 25.0 111.886 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 57.8 m -60.81 -41.05 94.92 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 120.14 -1.6 . . . . 25.0 114.42 170.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.26 -42.2 98.22 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.692 -1.255 . . . . 25.0 113.272 174.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.66 97.45 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.109 -0.994 . . . . 25.0 113.604 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.0 -43.7 98.49 Favored 'General case' 0 C--N 1.355 0.823 0 O-C-N 120.476 -1.39 . . . . 25.0 112.459 170.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.91 -39.69 95.32 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 125.324 1.45 . . . . 25.0 113.175 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -58.83 -44.63 90.94 Favored 'General case' 0 C--N 1.349 0.573 0 O-C-N 120.929 -1.107 . . . . 25.0 113.019 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.9 tpt85 -64.59 -41.87 95.97 Favored 'General case' 0 C--N 1.348 0.541 0 O-C-N 120.747 -1.221 . . . . 25.0 112.799 174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.2 tptt -61.87 -44.75 96.18 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.416 -1.427 . . . . 25.0 114.023 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -76.05 -22.57 55.54 Favored 'General case' 0 C--N 1.349 0.572 0 O-C-N 120.3 -1.5 . . . . 25.0 113.344 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.5 t90 -62.67 -46.21 89.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.134 -0.979 . . . . 25.0 111.492 165.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.9 m95 -64.81 -37.66 88.38 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 114.809 1.411 . . . . 25.0 114.809 174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -59.74 -39.18 83.87 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 125.692 1.597 . . . . 25.0 114.623 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.15 2.53 37.45 Favored 'General case' 0 C--N 1.346 0.417 0 O-C-N 120.856 -1.153 . . . . 25.0 113.507 -169.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.9 tp . . . . . 0 C--O 1.263 1.786 0 N-CA-C 115.107 1.521 . . . . 25.0 115.107 -173.512 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.495 1.806 0 N-CA-C 110.095 -0.335 . . . . 25.0 110.095 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -59.84 140.73 56.39 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 127.825 2.45 . . . . 25.0 114.425 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 9.7 tm0? -139.58 131.33 27.45 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.591 -1.318 . . . . 25.0 109.881 -173.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -65.68 -45.39 83.04 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 116.399 2.0 . . . . 25.0 116.399 -167.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 44.5 tp -64.08 -43.84 94.2 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 120.897 -1.127 . . . . 25.0 112.13 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 13.6 t -59.24 -42.91 92.21 Favored 'General case' 0 C--N 1.349 0.582 0 C-N-CA 124.162 0.985 . . . . 25.0 112.869 174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -63.67 -48.07 78.67 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 114.466 1.284 . . . . 25.0 114.466 174.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 16.4 tt -69.02 -42.55 82.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.655 0 O-C-N 120.54 -1.35 . . . . 25.0 113.96 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -65.17 -41.77 94.33 Favored 'General case' 0 C--N 1.353 0.718 0 O-C-N 120.379 -1.451 . . . . 25.0 112.748 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 27.9 m -64.67 -43.95 91.93 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.597 -1.314 . . . . 25.0 112.057 171.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -61.09 -42.98 99.52 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.021 -1.674 . . . . 25.0 113.484 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -59.76 -40.48 88.32 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.035 -1.04 . . . . 25.0 112.233 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 25.4 m -60.13 -44.53 94.83 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 124.48 1.112 . . . . 25.0 112.951 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -68.53 -37.02 79.63 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 120.682 -1.262 . . . . 25.0 113.913 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.43 -44.86 99.68 Favored 'Isoleucine or valine' 0 C--N 1.355 0.838 0 O-C-N 120.129 -1.607 . . . . 25.0 112.992 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 42.7 pt -64.99 -34.29 69.53 Favored 'Isoleucine or valine' 0 C--N 1.351 0.662 0 O-C-N 120.006 -1.684 . . . . 25.0 112.909 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -62.15 -43.61 98.46 Favored 'General case' 0 C--N 1.349 0.576 0 O-C-N 119.936 -1.728 . . . . 25.0 113.052 168.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.1 tp -59.51 -41.11 89.16 Favored 'General case' 0 C--N 1.351 0.66 0 O-C-N 120.612 -1.305 . . . . 25.0 113.09 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -59.71 -42.86 93.99 Favored 'General case' 0 C--N 1.352 0.703 0 O-C-N 120.834 -1.166 . . . . 25.0 112.869 173.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -72.23 -28.92 63.48 Favored 'General case' 0 C--N 1.349 0.562 0 O-C-N 120.308 -1.495 . . . . 25.0 114.245 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 55.3 m -60.66 -44.53 96.33 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.905 -1.747 . . . . 25.0 112.301 167.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.62 -37.32 79.72 Favored 'Isoleucine or valine' 0 C--N 1.349 0.557 0 O-C-N 120.733 -1.229 . . . . 25.0 112.011 173.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 27.6 ttm105 -59.04 -42.26 89.82 Favored 'General case' 0 C--N 1.347 0.476 0 O-C-N 120.217 -1.552 . . . . 25.0 114.24 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -61.47 -44.43 97.11 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 120.496 -1.377 . . . . 25.0 112.904 172.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 47.0 tp -59.98 -41.99 93.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.707 -1.246 . . . . 25.0 112.556 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -61.73 -44.35 97.08 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 125.043 1.337 . . . . 25.0 113.923 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -43.01 99.73 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 124.797 1.239 . . . . 25.0 111.631 177.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 62.4 mtt -59.82 -45.32 92.73 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 124.087 0.955 . . . . 25.0 113.434 173.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -62.02 -43.23 99.29 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 120.854 -1.154 . . . . 25.0 113.669 175.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 25.7 mmt -64.68 -43.96 91.86 Favored 'General case' 0 C--N 1.348 0.517 0 N-CA-C 114.479 1.289 . . . . 25.0 114.479 177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -64.48 -43.48 94.03 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.337 -0.852 . . . . 25.0 112.839 171.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 28.7 ttt -61.56 -44.09 97.68 Favored 'General case' 0 C--N 1.353 0.754 0 O-C-N 120.194 -1.566 . . . . 25.0 112.927 176.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.25 96.24 Favored 'General case' 0 C--N 1.35 0.612 0 C-N-CA 124.634 1.173 . . . . 25.0 113.126 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 56.0 ttm -62.23 -46.36 89.21 Favored 'General case' 0 C--N 1.352 0.696 0 O-C-N 121.24 -0.913 . . . . 25.0 112.931 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 23.2 tp -66.26 -46.3 77.54 Favored 'General case' 0 C--N 1.347 0.479 0 O-C-N 120.805 -1.184 . . . . 25.0 114.135 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.78 -34.45 70.08 Favored 'Isoleucine or valine' 0 C--N 1.352 0.705 0 O-C-N 119.752 -1.843 . . . . 25.0 113.493 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.54 -44.42 90.86 Favored 'General case' 0 C--N 1.352 0.711 0 C-N-CA 124.25 1.02 . . . . 25.0 112.965 170.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 49.1 m -62.7 -42.82 99.84 Favored 'General case' 0 C--N 1.351 0.642 0 C-N-CA 124.812 1.245 . . . . 25.0 113.27 175.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -59.96 -37.42 79.5 Favored 'General case' 0 C--N 1.349 0.553 0 O-C-N 120.652 -1.28 . . . . 25.0 112.212 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -62.39 -28.92 71.88 Favored Glycine 0 C--N 1.349 1.301 0 O-C-N 120.293 -1.505 . . . . 25.0 115.648 172.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -68.0 -40.14 83.08 Favored 'General case' 0 C--N 1.348 0.513 0 O-C-N 120.687 -1.478 . . . . 25.0 112.172 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 48.7 ttm -62.53 -41.23 98.73 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 124.749 1.22 . . . . 25.0 113.186 174.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 95.3 mt -59.02 -31.6 46.0 Favored 'Isoleucine or valine' 0 C--N 1.35 0.628 0 O-C-N 120.553 -1.342 . . . . 25.0 112.653 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.98 -39.53 78.43 Favored 'General case' 0 C--N 1.352 0.701 0 O-C-N 120.163 -1.586 . . . . 25.0 113.849 171.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -63.89 -44.99 91.34 Favored 'General case' 0 C--N 1.356 0.886 0 O-C-N 120.836 -1.165 . . . . 25.0 112.482 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 55.6 mt -62.37 -45.21 99.32 Favored 'Isoleucine or valine' 0 C--N 1.348 0.539 0 O-C-N 120.835 -1.166 . . . . 25.0 111.385 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.61 -48.19 82.87 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 124.649 1.18 . . . . 25.0 113.724 177.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -67.32 -42.0 84.35 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 120.777 -1.202 . . . . 25.0 112.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -60.95 -42.06 97.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 120.965 -1.084 . . . . 25.0 112.193 175.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 75.9 t -64.3 -45.72 95.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 O-C-N 120.499 -1.376 . . . . 25.0 113.054 171.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.2 -39.01 93.09 Favored 'General case' 0 C--N 1.352 0.699 0 O-C-N 119.56 -1.963 . . . . 25.0 113.72 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.14 -39.51 94.88 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 120.098 -1.626 . . . . 25.0 112.837 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.75 84.09 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.698 -1.252 . . . . 25.0 113.568 170.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.79 -41.83 83.75 Favored 'Isoleucine or valine' 0 C--N 1.354 0.781 0 O-C-N 120.648 -1.282 . . . . 25.0 112.58 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -60.42 -46.39 90.2 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 120.653 -1.279 . . . . 25.0 112.129 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -61.36 -43.18 99.3 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 120.391 -1.443 . . . . 25.0 113.484 173.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.33 -44.8 99.25 Favored 'Isoleucine or valine' 0 C--N 1.351 0.643 0 O-C-N 120.346 -1.471 . . . . 25.0 113.125 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.18 -42.77 99.16 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.583 -1.323 . . . . 25.0 111.809 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 36.8 mtm180 -64.74 -48.11 75.78 Favored 'General case' 0 C--N 1.349 0.574 0 N-CA-C 114.752 1.39 . . . . 25.0 114.752 170.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -62.79 -44.22 96.76 Favored 'General case' 0 C--N 1.349 0.582 0 N-CA-C 114.747 1.388 . . . . 25.0 114.747 -177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.76 -40.53 89.38 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 O-C-N 120.556 -1.34 . . . . 25.0 111.674 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 48.7 m -61.07 -46.1 92.02 Favored 'General case' 0 C--N 1.352 0.678 0 O-C-N 120.959 -1.088 . . . . 25.0 113.215 176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.97 -38.95 83.36 Favored 'General case' 0 C--N 1.35 0.609 0 C-N-CA 124.232 1.013 . . . . 25.0 112.575 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 85.8 m -60.85 -42.95 98.85 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.26 -1.525 . . . . 25.0 112.438 174.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -64.13 -37.95 89.3 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 120.465 -1.397 . . . . 25.0 113.265 174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -62.85 -43.49 98.66 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.607 -1.308 . . . . 25.0 113.234 169.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.49 88.73 Favored 'General case' 0 C--N 1.349 0.567 0 N-CA-C 115.479 1.659 . . . . 25.0 115.479 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 14.7 p -65.12 -31.48 54.11 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 O-C-N 121.161 -0.962 . . . . 25.0 112.968 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -60.56 -25.85 66.49 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -71.53 -12.71 61.51 Favored 'General case' 0 C--N 1.346 0.438 0 N-CA-C 114.608 1.336 . . . . 25.0 114.608 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -76.99 111.11 12.2 Favored 'General case' 0 C--N 1.351 0.645 0 O-C-N 120.227 -1.546 . . . . 25.0 112.355 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.258 1.511 0 C-N-CA 124.053 0.941 . . . . 25.0 111.408 172.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 115.361 1.615 . . . . 25.0 115.361 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -69.0 -47.19 66.11 Favored 'General case' 0 C--N 1.351 0.642 0 N-CA-C 117.129 2.27 . . . . 25.0 117.129 -171.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -91.68 9.94 30.34 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 119.862 -1.774 . . . . 25.0 112.065 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -76.6 -18.39 58.66 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.705 1.602 . . . . 25.0 113.378 173.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 40.8 tp -170.72 -51.12 0.02 OUTLIER 'General case' 0 C--N 1.353 0.748 0 O-C-N 121.22 -0.925 . . . . 25.0 112.767 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.82 -41.78 92.06 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 115.481 1.66 . . . . 25.0 115.481 -164.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -62.54 -40.9 98.3 Favored 'General case' 0 C--N 1.347 0.464 0 CA-C-O 122.591 1.186 . . . . 25.0 113.925 174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 82.5 mtp -63.26 -42.38 99.15 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 125.571 1.549 . . . . 25.0 113.032 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -62.64 -45.31 93.4 Favored 'General case' 0 C--N 1.35 0.589 0 C-N-CA 123.764 0.826 . . . . 25.0 112.933 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -70.27 -34.32 72.64 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.28 -1.512 . . . . 25.0 113.243 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -60.39 -45.69 92.64 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 119.805 -1.809 . . . . 25.0 112.449 170.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.92 97.53 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.361 1.065 . . . . 25.0 113.816 174.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -59.76 -45.79 91.17 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.846 1.658 . . . . 25.0 113.338 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -63.98 -43.65 95.08 Favored 'General case' 0 C--N 1.351 0.663 0 O-C-N 120.631 -1.293 . . . . 25.0 113.145 174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 42.1 mt -60.9 -43.25 98.79 Favored 'General case' 0 C--N 1.353 0.742 0 O-C-N 120.95 -1.094 . . . . 25.0 112.773 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.15 -43.65 97.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 114.157 1.169 . . . . 25.0 114.157 176.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.88 -40.12 87.71 Favored 'General case' 0 C--N 1.348 0.515 0 O-C-N 120.225 -1.547 . . . . 25.0 114.836 176.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -69.75 -27.7 65.16 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 120.299 -1.501 . . . . 25.0 112.853 171.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 70.2 m -64.58 -39.99 94.73 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.689 1.196 . . . . 25.0 113.739 169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -59.95 -45.64 91.98 Favored 'General case' 0 C--N 1.357 0.934 0 O-C-N 120.218 -1.551 . . . . 25.0 111.347 172.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -59.46 -43.8 93.12 Favored 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 124.445 1.098 . . . . 25.0 112.829 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 37.6 t -64.12 -47.03 81.56 Favored 'General case' 0 C--N 1.354 0.767 0 O-C-N 119.959 -1.713 . . . . 25.0 113.65 171.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 68.1 p -65.08 -41.41 95.08 Favored 'General case' 0 C--N 1.35 0.63 0 O-C-N 119.838 -1.789 . . . . 25.0 114.859 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.41 -42.88 98.77 Favored 'General case' 0 C--N 1.348 0.502 0 O-C-N 120.937 -1.102 . . . . 25.0 112.876 173.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -62.88 -45.09 94.17 Favored 'General case' 0 C--N 1.349 0.569 0 O-C-N 120.682 -1.261 . . . . 25.0 113.011 173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 44.0 ttp -62.09 -42.33 99.1 Favored 'General case' 0 C--N 1.347 0.476 0 C-N-CA 125.894 1.677 . . . . 25.0 114.085 176.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -62.66 -44.42 96.31 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.758 -1.214 . . . . 25.0 113.263 175.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -65.64 -40.96 93.07 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 120.589 -1.319 . . . . 25.0 113.22 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.39 -42.94 99.53 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 120.483 -1.385 . . . . 25.0 113.844 174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . 0.274 1.9 p -68.48 -37.63 78.05 Favored 'Isoleucine or valine' 0 C--N 1.348 0.519 0 O-C-N 119.651 -1.905 . . . . 25.0 113.424 174.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -62.91 -43.1 99.72 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.14 -1.6 . . . . 25.0 113.16 170.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -58.24 -41.52 84.34 Favored 'General case' 0 C--N 1.352 0.702 0 C-N-CA 125.443 1.497 . . . . 25.0 112.032 173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 23.2 m -62.1 -41.78 98.55 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 124.842 1.257 . . . . 25.0 113.444 173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 tttt -63.15 -43.47 98.25 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.692 -1.255 . . . . 25.0 113.595 171.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -60.53 -43.83 96.73 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 122.434 1.112 . . . . 25.0 111.798 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.36 95.72 Favored 'General case' 0 C--N 1.352 0.679 0 O-C-N 120.301 -1.5 . . . . 25.0 114.183 169.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.36 -51.65 46.02 Favored Glycine 0 C--N 1.35 1.352 0 C-N-CA 126.299 1.905 . . . . 25.0 115.488 172.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mm -61.66 -43.71 97.54 Favored 'Isoleucine or valine' 0 C--N 1.349 0.558 0 C-N-CA 125.229 1.411 . . . . 25.0 111.606 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -59.5 -44.4 93.12 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 120.649 -1.282 . . . . 25.0 112.469 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 58.9 m -62.54 -44.16 97.04 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.748 1.219 . . . . 25.0 112.35 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 27.1 tp -64.54 -44.97 89.12 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 120.754 -1.216 . . . . 25.0 114.156 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -64.18 -41.2 91.69 Favored 'Isoleucine or valine' 0 C--N 1.351 0.674 0 O-C-N 120.436 -1.415 . . . . 25.0 112.106 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 21.1 ttp -61.24 -40.19 93.11 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.39 -1.444 . . . . 25.0 113.136 173.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 37.1 tp -61.0 -44.51 97.31 Favored 'General case' 0 C--N 1.349 0.568 0 O-C-N 120.714 -1.241 . . . . 25.0 113.829 173.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -64.08 -42.81 96.81 Favored 'General case' 0 C--N 1.357 0.906 0 O-C-N 121.12 -0.987 . . . . 25.0 112.334 174.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -74.92 -21.91 58.92 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 119.531 -1.981 . . . . 25.0 114.102 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -66.35 -33.94 76.86 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 118.852 -2.405 . . . . 25.0 112.275 161.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.93 -32.08 83.05 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 119.919 -1.738 . . . . 25.0 115.173 168.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.85 -43.24 98.62 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.027 1.331 . . . . 25.0 111.35 169.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -64.44 -43.71 93.45 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.871 -1.143 . . . . 25.0 113.857 172.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.54 -38.93 91.93 Favored 'General case' 0 C--N 1.349 0.549 0 N-CA-C 116.008 1.855 . . . . 25.0 116.008 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.94 -35.33 79.76 Favored 'General case' 0 C--N 1.356 0.874 0 O-C-N 119.962 -1.711 . . . . 25.0 112.497 175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -61.15 -39.49 90.29 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 120.559 -1.338 . . . . 25.0 113.239 170.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 56.1 t -61.74 -45.25 99.07 Favored 'Isoleucine or valine' 0 C--N 1.35 0.626 0 O-C-N 119.841 -1.787 . . . . 25.0 112.118 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -66.51 -34.34 77.71 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.28 -1.512 . . . . 25.0 113.574 173.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -58.06 -42.38 85.36 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.161 -1.587 . . . . 25.0 111.45 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -64.61 -39.41 96.74 Favored Glycine 0 C--N 1.353 1.487 0 O-C-N 120.287 -1.508 . . . . 25.0 114.045 173.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.21 -40.96 97.15 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 121.022 -1.281 . . . . 25.0 113.287 172.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -62.12 -42.51 99.31 Favored 'General case' 0 C--N 1.35 0.601 0 O-C-N 120.917 -1.114 . . . . 25.0 112.488 173.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 54.3 m-70 -61.98 -42.62 99.33 Favored 'General case' 0 C--N 1.35 0.626 0 N-CA-C 114.355 1.243 . . . . 25.0 114.355 171.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.14 -44.31 94.92 Favored 'Isoleucine or valine' 0 C--N 1.355 0.837 0 O-C-N 120.629 -1.294 . . . . 25.0 111.276 172.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -59.66 -44.2 93.66 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 120.796 -1.19 . . . . 25.0 112.882 176.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -60.0 -52.1 66.82 Favored 'General case' 0 C--N 1.351 0.632 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.12 -37.3 69.52 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 121.048 -1.032 . . . . 25.0 113.402 178.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 94.9 mmm -62.34 -35.73 80.0 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 119.836 -1.79 . . . . 25.0 113.614 171.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -62.37 -40.01 95.04 Favored 'General case' 0 C--N 1.347 0.488 0 O-C-N 120.506 -1.371 . . . . 25.0 113.824 173.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -63.92 -47.67 79.61 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.639 -1.288 . . . . 25.0 111.888 167.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.6 78.78 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 120.377 -1.452 . . . . 25.0 114.019 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -55.98 -42.16 75.9 Favored 'General case' 0 C--N 1.348 0.542 0 C-N-CA 126.272 1.829 . . . . 25.0 113.755 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -61.42 -46.77 88.73 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.636 -1.29 . . . . 25.0 112.586 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -63.56 -44.24 94.71 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.055 0.942 . . . . 25.0 111.287 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.95 -40.06 94.25 Favored 'General case' 0 C--N 1.347 0.491 0 N-CA-C 114.005 1.113 . . . . 25.0 114.005 174.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -70.27 -37.13 74.8 Favored 'General case' 0 C--N 1.346 0.441 0 N-CA-C 115.4 1.629 . . . . 25.0 115.4 174.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.95 -17.75 52.19 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 120.439 -1.413 . . . . 25.0 113.857 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mt -61.19 -42.97 99.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 116.351 1.982 . . . . 25.0 116.351 -174.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . -81.56 45.18 3.21 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 116.481 1.353 . . . . 25.0 116.481 -165.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 124.481 1.112 . . . . 25.0 110.762 -179.555 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.062 0 N-CA-C 117.721 1.848 . . . . 25.0 117.721 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 111.67 26.83 4.32 Favored Glycine 0 C--N 1.347 1.154 0 O-C-N 121.276 -1.132 . . . . 25.0 112.035 -175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.53 -11.17 32.52 Favored 'General case' 0 C--N 1.348 0.527 0 CA-C-N 118.717 1.259 . . . . 25.0 112.73 -176.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 12.7 pt -142.59 158.34 18.96 Favored 'Isoleucine or valine' 0 C--N 1.346 0.429 0 CA-C-O 122.339 1.066 . . . . 25.0 110.026 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -68.93 97.69 0.87 Allowed 'General case' 0 C--N 1.348 0.525 0 O-C-N 121.008 -1.057 . . . . 25.0 111.277 167.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -64.63 126.82 29.09 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 124.204 1.002 . . . . 25.0 112.697 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.53 -0.96 9.9 Favored 'Isoleucine or valine' 0 C--N 1.347 0.495 0 O-C-N 120.846 -1.159 . . . . 25.0 111.516 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 10.9 t -157.34 171.12 20.97 Favored 'General case' 0 C--N 1.343 0.287 0 O-C-N 120.919 -1.113 . . . . 25.0 108.005 -176.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 35.4 p30 -105.61 6.28 31.97 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 126.205 1.802 . . . . 25.0 111.582 -178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -59.81 149.76 30.24 Favored 'General case' 0 C--N 1.349 0.553 0 N-CA-C 116.029 1.863 . . . . 25.0 116.029 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.46 -36.42 78.2 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 120.733 -1.229 . . . . 25.0 112.269 170.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -56.06 -42.11 76.13 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 125.912 1.685 . . . . 25.0 114.034 171.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -67.57 -40.48 84.89 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 120.413 -1.429 . . . . 25.0 112.645 171.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -61.91 -43.78 98.15 Favored 'General case' 0 C--N 1.352 0.697 0 O-C-N 120.465 -1.397 . . . . 25.0 113.044 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -61.05 -42.1 97.85 Favored 'General case' 0 C--N 1.354 0.791 0 C-N-CA 123.897 0.879 . . . . 25.0 111.714 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 23.4 tpp -58.08 -45.2 87.53 Favored 'General case' 0 C--N 1.35 0.618 0 C-N-CA 124.63 1.172 . . . . 25.0 113.678 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.7 -47.14 84.9 Favored 'General case' 0 C--N 1.348 0.534 0 C-N-CA 125.641 1.577 . . . . 25.0 112.815 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 64.5 mm-40 -66.09 -43.5 87.13 Favored 'General case' 0 C--N 1.352 0.716 0 O-C-N 120.554 -1.341 . . . . 25.0 113.171 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -60.63 -44.39 96.42 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 120.536 -1.353 . . . . 25.0 112.407 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.61 -40.23 96.38 Favored 'General case' 0 C--N 1.352 0.695 0 O-C-N 120.535 -1.353 . . . . 25.0 113.6 174.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -61.0 -44.7 97.03 Favored 'General case' 0 C--N 1.348 0.526 0 O-C-N 121.184 -0.947 . . . . 25.0 113.251 174.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -61.95 -43.23 99.27 Favored 'General case' 0 C--N 1.351 0.657 0 O-C-N 120.952 -1.092 . . . . 25.0 113.492 173.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 54.8 t -60.11 -45.74 95.35 Favored 'Isoleucine or valine' 0 C--N 1.354 0.784 0 O-C-N 120.642 -1.286 . . . . 25.0 112.253 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 5.1 t -61.29 -41.25 96.64 Favored 'General case' 0 C--N 1.349 0.57 0 O-C-N 120.906 -1.121 . . . . 25.0 113.69 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -66.91 -37.03 91.91 Favored Glycine 0 C--N 1.353 1.485 0 O-C-N 120.966 -1.084 . . . . 25.0 114.535 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.28 -41.54 89.27 Favored 'Isoleucine or valine' 0 C--N 1.35 0.609 0 O-C-N 120.741 -1.446 . . . . 25.0 111.53 173.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.45 -41.54 87.88 Favored 'Isoleucine or valine' 0 C--N 1.355 0.82 0 O-C-N 120.149 -1.594 . . . . 25.0 112.037 172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -62.97 -35.46 92.11 Favored Glycine 0 C--N 1.351 1.403 0 O-C-N 120.175 -1.578 . . . . 25.0 114.35 174.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -66.89 -43.98 82.01 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 120.839 -1.389 . . . . 25.0 112.708 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.34 -36.98 79.24 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 124.855 1.262 . . . . 25.0 113.439 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -56.24 -48.68 76.04 Favored 'General case' 0 C--N 1.351 0.654 0 O-C-N 120.884 -1.135 . . . . 25.0 113.138 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -70.08 -38.38 75.69 Favored 'General case' 0 C--N 1.347 0.498 0 O-C-N 120.702 -1.249 . . . . 25.0 112.627 177.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 45.4 ttm -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 124.054 0.942 . . . . 25.0 113.451 174.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -62.51 -40.59 97.23 Favored 'General case' 0 C--N 1.349 0.578 0 O-C-N 120.837 -1.164 . . . . 25.0 114.012 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.62 -43.58 96.45 Favored 'General case' 0 C--N 1.351 0.633 0 O-C-N 121.025 -1.047 . . . . 25.0 113.295 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.15 -47.88 84.08 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.109 -0.994 . . . . 25.0 111.927 171.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 55.0 ttm -60.1 -42.34 94.46 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 120.769 -1.207 . . . . 25.0 113.235 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -66.01 -38.19 93.86 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.422 -0.799 . . . . 25.0 114.138 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -65.06 -46.07 82.72 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 121.083 -1.245 . . . . 25.0 112.473 175.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -67.16 -45.76 76.04 Favored 'General case' 0 C--N 1.351 0.642 0 O-C-N 121.234 -0.916 . . . . 25.0 112.791 177.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 12.1 tt -65.81 -39.65 85.39 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 O-C-N 120.051 -1.656 . . . . 25.0 114.251 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -62.07 -43.38 98.97 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 119.83 -1.793 . . . . 25.0 112.011 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 47.3 m -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.345 0.397 0 O-C-N 121.119 -0.988 . . . . 25.0 111.613 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -62.37 -41.79 98.9 Favored 'General case' 0 C--N 1.349 0.55 0 N-CA-C 114.436 1.273 . . . . 25.0 114.436 173.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -60.8 -41.26 95.29 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 119.589 -1.945 . . . . 25.0 112.61 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 52.3 mtt180 -76.66 -20.83 56.22 Favored 'General case' 0 C--N 1.346 0.424 0 O-C-N 120.561 -1.337 . . . . 25.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -62.42 -35.22 78.57 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 120.239 -1.538 . . . . 25.0 112.618 165.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 73.0 mt -59.93 -38.55 76.93 Favored 'Isoleucine or valine' 0 C--N 1.351 0.671 0 O-C-N 120.183 -1.573 . . . . 25.0 112.415 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -60.33 -43.51 96.36 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 120.364 -1.46 . . . . 25.0 112.639 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.4 ttp180 -60.73 -45.47 94.16 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.589 1.156 . . . . 25.0 112.612 177.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 83.7 mt -66.65 -44.49 89.7 Favored 'Isoleucine or valine' 0 C--N 1.349 0.582 0 O-C-N 120.888 -1.133 . . . . 25.0 112.607 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.4 -43.17 98.34 Favored 'General case' 0 C--N 1.351 0.635 0 O-C-N 120.259 -1.526 . . . . 25.0 113.94 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 121.131 -0.981 . . . . 25.0 112.209 176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -63.35 -41.52 98.85 Favored 'General case' 0 C--N 1.35 0.611 0 O-C-N 120.679 -1.263 . . . . 25.0 113.535 171.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.79 -47.97 81.17 Favored 'General case' 0 C--N 1.348 0.529 0 N-CA-C 114.114 1.153 . . . . 25.0 114.114 175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -65.79 -39.62 91.15 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.925 -1.109 . . . . 25.0 111.967 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 67.8 m -60.12 -47.13 87.17 Favored 'General case' 0 C--N 1.351 0.672 0 O-C-N 120.708 -1.245 . . . . 25.0 112.578 175.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -68.97 -38.43 79.36 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 120.555 -1.341 . . . . 25.0 114.029 174.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -60.5 -43.5 96.99 Favored 'General case' 0 C--N 1.35 0.617 0 O-C-N 120.115 -1.615 . . . . 25.0 112.954 172.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 23.8 m -65.26 -40.26 93.71 Favored 'General case' 0 C--N 1.345 0.396 0 O-C-N 120.647 -1.283 . . . . 25.0 112.315 174.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -61.2 -40.94 95.84 Favored 'General case' 0 C--N 1.348 0.503 0 O-C-N 120.272 -1.518 . . . . 25.0 113.382 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 92.5 mt -64.04 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 124.994 1.318 . . . . 25.0 112.445 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -60.4 -45.13 94.68 Favored 'General case' 0 C--N 1.354 0.779 0 O-C-N 120.222 -1.549 . . . . 25.0 111.748 172.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -59.76 -45.76 91.24 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 124.799 1.24 . . . . 25.0 112.24 173.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.58 99.76 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.857 -1.152 . . . . 25.0 114.089 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -63.18 -44.81 94.37 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 124.921 1.288 . . . . 25.0 112.193 174.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -61.98 -46.73 87.97 Favored 'General case' 0 C--N 1.349 0.55 0 C-N-CA 124.906 1.282 . . . . 25.0 112.276 174.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -61.72 -45.45 93.9 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 126.071 1.749 . . . . 25.0 113.902 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -64.65 -43.74 92.67 Favored 'General case' 0 C--N 1.35 0.589 0 O-C-N 120.973 -1.079 . . . . 25.0 113.109 173.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 96.4 m -62.72 -34.39 77.08 Favored 'General case' 0 C--N 1.35 0.594 0 C-N-CA 125.237 1.415 . . . . 25.0 112.672 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 47.2 tttt -73.41 -12.03 60.67 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 120.519 -1.363 . . . . 25.0 114.008 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 64.0 mtt -94.19 3.9 54.62 Favored 'General case' 0 C--N 1.35 0.622 0 O-C-N 120.369 -1.457 . . . . 25.0 111.595 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 71.0 mt -98.04 138.13 35.8 Favored 'General case' 0 N--CA 1.448 -0.529 0 O-C-N 120.27 -1.519 . . . . 25.0 110.763 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.803 0 N-CA-C 109.656 -1.378 . . . . 25.0 109.656 -173.347 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.494 1.744 0 N-CA-C 112.464 0.542 . . . . 25.0 112.464 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -75.15 -0.68 61.68 Favored Glycine 0 C--N 1.35 1.327 0 N-CA-C 117.028 1.571 . . . . 25.0 117.028 -165.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -79.64 -7.35 88.56 Favored Glycine 0 C--N 1.348 1.242 0 O-C-N 121.166 -1.197 . . . . 25.0 113.94 169.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -82.74 -177.59 52.01 Favored Glycine 0 C--N 1.349 1.286 0 O-C-N 121.151 -1.205 . . . . 25.0 113.396 170.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -77.22 -6.47 86.3 Favored Glycine 0 C--N 1.345 1.077 0 O-C-N 120.257 -1.731 . . . . 25.0 114.533 -175.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -74.52 -13.36 81.91 Favored Glycine 0 C--N 1.347 1.157 0 O-C-N 120.833 -1.392 . . . . 25.0 115.155 -175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 10.9 tp -68.87 -38.32 78.51 Favored 'Isoleucine or valine' 0 C--N 1.348 0.526 0 O-C-N 121.197 -1.178 . . . . 25.0 112.631 170.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.96 -37.77 84.87 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 125.54 1.536 . . . . 25.0 113.056 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -95.84 0.47 52.2 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.584 1.154 . . . . 25.0 110.929 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 80.3 mttt 57.73 49.37 12.39 Favored 'General case' 0 C--N 1.353 0.759 0 C-N-CA 125.907 1.683 . . . . 25.0 114.531 174.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.1 mt -64.32 -38.52 91.32 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 114.762 1.393 . . . . 25.0 114.762 -175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 123.35 163.64 11.83 Favored Glycine 0 C--N 1.349 1.289 0 C-N-CA 124.101 0.858 . . . . 25.0 113.493 173.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -111.48 131.51 55.17 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 124.092 0.957 . . . . 25.0 109.709 -174.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.5 tt -120.1 139.06 48.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.663 0 O-C-N 120.618 -1.301 . . . . 25.0 110.194 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 12.0 t -111.74 131.98 54.94 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 120.679 -1.263 . . . . 25.0 110.274 -177.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -151.63 163.91 38.06 Favored 'General case' 0 N--CA 1.449 -0.503 0 O-C-N 120.751 -1.218 . . . . 25.0 111.001 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 43.4 t -127.04 128.5 46.4 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 124.512 1.125 . . . . 25.0 109.283 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 64.8 mt -111.64 133.39 53.93 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.918 0.887 . . . . 25.0 109.86 177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -146.81 142.66 27.94 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 120.384 -1.447 . . . . 25.0 111.668 176.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -135.4 161.81 34.38 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 106.909 -1.515 . . . . 25.0 106.909 -174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 52.9 t -128.47 105.88 19.25 Favored Pre-proline 0 C--N 1.347 0.466 0 N-CA-C 107.523 -1.288 . . . . 25.0 107.523 169.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_exo -62.48 -35.72 69.91 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 122.665 2.244 . . . . 25.0 115.594 -172.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 3.0 p -65.59 -40.45 92.71 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 125.687 1.595 . . . . 25.0 114.149 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -102.41 -10.1 19.72 Favored 'General case' 0 C--N 1.347 0.457 0 O-C-N 121.168 -0.958 . . . . 25.0 113.095 -176.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 78.04 3.0 84.22 Favored Glycine 0 C--N 1.35 1.307 0 O-C-N 120.448 -1.408 . . . . 25.0 115.635 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -89.29 139.73 30.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 119.791 -2.005 . . . . 25.0 112.595 -176.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 65.5 tp -122.12 133.09 54.76 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 125.713 1.605 . . . . 25.0 108.367 -173.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 17.5 m -132.1 130.52 41.33 Favored 'General case' 0 C--N 1.347 0.499 0 O-C-N 121.02 -1.05 . . . . 25.0 108.78 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 89.7 t -117.51 128.76 74.7 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.413 0 N-CA-C 107.248 -1.39 . . . . 25.0 107.248 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 32.3 t -121.31 123.89 70.77 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 O-C-N 121.245 -0.909 . . . . 25.0 109.42 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 43.4 mm -97.2 123.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.347 0.467 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.61 -85.85 0.42 Allowed 'General case' 0 C--N 1.351 0.633 0 O-C-N 120.797 -1.189 . . . . 25.0 112.096 -168.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -136.31 162.61 32.54 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.862 0.865 . . . . 25.0 108.684 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -135.42 159.8 40.45 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 107.859 -1.163 . . . . 25.0 107.859 170.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -146.64 137.66 24.15 Favored 'General case' 0 N--CA 1.443 -0.779 0 O-C-N 121.243 -0.911 . . . . 25.0 109.815 -171.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.3 m120 57.73 47.54 15.42 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 115.381 1.622 . . . . 25.0 115.381 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.0 146.94 52.07 Favored 'General case' 0 C--N 1.347 0.477 0 O-C-N 120.627 -1.295 . . . . 25.0 114.246 170.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -65.87 133.38 50.82 Favored 'General case' 0 C--N 1.345 0.376 0 O-C-N 120.771 -1.206 . . . . 25.0 112.54 167.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -88.85 128.4 35.66 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 120.616 -1.302 . . . . 25.0 109.639 178.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 28.0 mtp -87.5 -54.75 4.12 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.005 -1.059 . . . . 25.0 113.697 -173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -68.12 147.54 52.16 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 120.553 -1.342 . . . . 25.0 112.703 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 36.3 t -69.08 -51.0 48.25 Favored 'Isoleucine or valine' 0 C--N 1.35 0.59 0 O-C-N 120.506 -1.371 . . . . 25.0 113.698 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -112.14 -19.45 7.18 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 120.4 -1.438 . . . . 25.0 114.606 -169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -80.76 -178.17 52.03 Favored Glycine 0 C--N 1.346 1.094 0 O-C-N 121.12 -1.224 . . . . 25.0 113.547 172.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.75 132.12 54.86 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 124.737 1.215 . . . . 25.0 108.54 171.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 74.5 m -64.74 147.92 52.17 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 115.826 1.787 . . . . 25.0 115.826 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -121.02 75.98 29.74 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 126.09 1.756 . . . . 25.0 109.716 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.52 141.38 22.36 Favored 'Trans proline' 0 C--O 1.236 0.424 0 C-N-CA 122.651 2.234 . . . . 25.0 115.509 -164.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -146.43 157.61 43.79 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 121.833 0.825 . . . . 25.0 111.502 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 20.4 t -118.65 134.32 62.66 Favored 'Isoleucine or valine' 0 C--N 1.348 0.508 0 O-C-N 121.167 -0.958 . . . . 25.0 110.093 -168.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -115.95 132.02 56.77 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 120.947 -1.095 . . . . 25.0 108.487 172.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 4.8 mp -123.19 122.1 64.58 Favored 'Isoleucine or valine' 0 C--N 1.349 0.555 0 C-N-CA 124.222 1.009 . . . . 25.0 108.534 -170.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -121.1 130.96 53.98 Favored 'General case' 0 C--N 1.351 0.646 0 O-C-N 121.228 -0.92 . . . . 25.0 110.903 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 60.5 tp -90.21 137.27 32.48 Favored 'General case' 0 C--N 1.347 0.467 0 O-C-N 121.202 -0.936 . . . . 25.0 110.048 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 28.5 mtt -137.02 154.61 50.34 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 121.096 -1.002 . . . . 25.0 111.187 -177.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -120.39 113.44 20.35 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 124.684 1.194 . . . . 25.0 108.709 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 52.44 38.15 24.6 Favored 'General case' 0 C--N 1.35 0.618 0 O-C-N 120.226 -1.546 . . . . 25.0 114.036 -172.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 77.91 6.77 87.42 Favored Glycine 0 C--N 1.352 1.439 0 O-C-N 120.062 -1.648 . . . . 25.0 116.022 -173.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.78 115.84 31.42 Favored 'General case' 0 C--N 1.345 0.409 0 O-C-N 120.842 -1.387 . . . . 25.0 109.823 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 13.6 ptt180 -58.18 136.29 57.24 Favored 'General case' 0 C--N 1.348 0.504 0 N-CA-C 116.248 1.944 . . . . 25.0 116.248 -176.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 35.7 tp -115.45 -85.09 0.62 Allowed 'General case' 0 C--N 1.355 0.839 0 O-C-N 120.92 -1.113 . . . . 25.0 111.217 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -145.0 164.49 31.0 Favored 'General case' 0 C--N 1.349 0.558 0 O-C-N 119.875 -1.766 . . . . 25.0 109.778 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -135.76 159.24 42.27 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 122.032 0.92 . . . . 25.0 113.176 -173.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -137.62 170.56 15.86 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 125.764 1.626 . . . . 25.0 107.238 176.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -144.96 157.0 44.28 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.809 -1.182 . . . . 25.0 110.226 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 65.4 p -83.68 163.66 20.14 Favored 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.896 0.855 . . . . 25.0 111.531 171.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 30.7 p -62.35 151.56 36.43 Favored 'General case' 0 C--N 1.347 0.474 0 O-C-N 120.824 -1.172 . . . . 25.0 111.754 159.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 4.5 mt -84.86 136.04 23.58 Favored 'Isoleucine or valine' 0 C--N 1.347 0.47 0 O-C-N 120.165 -1.585 . . . . 25.0 109.752 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -112.61 107.94 16.82 Favored 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 120.763 -1.211 . . . . 25.0 108.113 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -79.38 150.54 31.34 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 115.185 1.55 . . . . 25.0 115.185 -169.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 3.6 m120 59.66 53.51 4.93 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 128.865 2.866 . . . . 25.0 114.523 168.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 15.0 t -158.86 157.45 31.53 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 120.869 -1.144 . . . . 25.0 111.717 -173.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 86.9 mt -117.27 8.16 13.09 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 124.218 1.007 . . . . 25.0 109.704 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -132.67 60.45 50.28 Favored Pre-proline 0 C--N 1.352 0.708 0 C-N-CA 124.389 1.075 . . . . 25.0 110.706 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.1 145.56 35.39 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.831 2.354 . . . . 25.0 113.867 -170.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -118.54 116.94 27.69 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.419 1.488 . . . . 25.0 107.06 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -106.84 -63.51 1.28 Allowed 'General case' 0 C--N 1.349 0.575 0 C-N-CA 123.765 0.826 . . . . 25.0 111.554 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 53.57 51.88 14.34 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 126.659 1.983 . . . . 25.0 113.085 -169.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.77 140.55 49.1 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.513 1.125 . . . . 25.0 110.456 -171.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 22.9 t -120.56 134.61 55.26 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 124.676 1.19 . . . . 25.0 110.865 -164.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -130.42 126.98 38.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.415 1.086 . . . . 25.0 108.18 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.2 m -122.88 139.89 53.55 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.066 -1.021 . . . . 25.0 111.389 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -141.45 175.69 9.47 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 125.401 1.48 . . . . 25.0 109.43 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -125.56 127.27 46.13 Favored 'General case' 0 C--N 1.348 0.525 0 O-C-N 120.564 -1.335 . . . . 25.0 108.426 174.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.98 114.41 9.97 Favored Pre-proline 0 C--N 1.35 0.618 0 O-C-N 120.959 -1.088 . . . . 25.0 108.7 175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -50.91 149.77 14.12 Favored 'Trans proline' 0 CA--C 1.528 0.205 0 C-N-CA 124.516 3.477 . . . . 25.0 116.783 170.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -61.55 -38.11 86.25 Favored 'General case' 0 C--N 1.35 0.617 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 -175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -72.5 -14.86 61.76 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 119.55 -1.969 . . . . 25.0 113.185 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -107.3 -11.81 15.48 Favored 'General case' 0 C--N 1.351 0.667 0 O-C-N 120.402 -1.436 . . . . 25.0 113.488 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.7 tp -71.05 -23.29 23.34 Favored 'Isoleucine or valine' 0 C--N 1.354 0.793 0 O-C-N 119.797 -1.815 . . . . 25.0 110.552 172.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -87.84 38.16 0.83 Allowed 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.257 1.423 . . . . 25.0 111.555 172.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 51.3 mttm -150.39 8.84 0.62 Allowed 'General case' 0 C--N 1.355 0.823 0 C-N-CA 124.797 1.239 . . . . 25.0 112.294 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.39 163.49 37.49 Favored 'Isoleucine or valine' 0 C--N 1.351 0.666 0 O-C-N 119.83 -1.794 . . . . 25.0 113.555 -165.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 25.8 mp0 -138.35 155.94 48.07 Favored 'General case' 0 C--N 1.35 0.592 0 C-N-CA 125.574 1.55 . . . . 25.0 108.425 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 58.8 t -124.45 127.2 72.9 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 N-CA-C 107.705 -1.22 . . . . 25.0 107.705 174.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 40.7 t -112.79 130.82 65.9 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 121.314 -0.866 . . . . 25.0 109.061 -174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 58.9 t -118.57 121.07 66.12 Favored 'Isoleucine or valine' 0 C--N 1.348 0.501 0 C-N-CA 124.665 1.186 . . . . 25.0 107.906 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 43.5 m -125.56 131.13 52.81 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 120.861 -1.149 . . . . 25.0 109.241 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 21.6 t -109.57 132.78 56.82 Favored 'Isoleucine or valine' 0 C--N 1.348 0.524 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 4.3 mp -134.35 161.27 35.46 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 121.044 -1.035 . . . . 25.0 110.142 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -98.56 152.45 19.57 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.767 1.227 . . . . 25.0 109.523 176.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -107.1 105.35 15.32 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 123.176 1.465 . . . . 25.0 110.714 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -122.22 140.51 52.51 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 104.481 -2.414 . . . . 25.0 104.481 169.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -77.82 -17.17 57.73 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 113.702 1.001 . . . . 25.0 113.702 -176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 18.7 pt -62.64 -36.37 74.87 Favored 'Isoleucine or valine' 0 C--N 1.353 0.752 0 O-C-N 120.54 -1.35 . . . . 25.0 114.024 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 100.21 179.84 29.9 Favored Glycine 0 C--N 1.349 1.274 0 O-C-N 120.769 -1.207 . . . . 25.0 113.183 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt 59.87 40.44 19.23 Favored 'General case' 0 C--N 1.351 0.656 0 C-N-CA 125.502 1.521 . . . . 25.0 113.048 -170.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -59.56 138.22 57.77 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.969 1.308 . . . . 25.0 113.398 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -98.84 143.86 28.7 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.191 -1.04 . . . . 25.0 108.191 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -66.14 140.76 58.23 Favored 'General case' 0 N--CA 1.447 -0.579 0 O-C-N 120.349 -1.47 . . . . 25.0 113.702 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.51 -43.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.702 0 CA-C-O 122.541 1.162 . . . . 25.0 109.156 169.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 175.34 175.56 42.88 Favored Glycine 0 CA--C 1.497 -1.048 0 N-CA-C 108.632 -1.787 . . . . 25.0 108.632 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 13.9 ptmt -149.45 168.28 23.87 Favored 'General case' 0 N--CA 1.447 -0.612 0 O-C-N 121.551 -0.97 . . . . 25.0 111.046 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 11.0 p -157.95 163.55 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -141.3 159.07 42.99 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 119.918 -1.738 . . . . 25.0 109.524 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.88 143.49 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 N-CA-C 107.289 -1.375 . . . . 25.0 107.289 172.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 133.01 172.04 12.89 Favored Glycine 0 CA--C 1.495 -1.216 0 N-CA-C 109.844 -1.302 . . . . 25.0 109.844 -172.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -63.58 148.17 49.55 Favored 'General case' 0 C--N 1.342 0.268 0 N-CA-C 113.786 1.032 . . . . 25.0 113.786 177.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.257 16.9 m-20 91.23 33.21 0.01 OUTLIER 'General case' 0 C--N 1.354 0.804 0 C-N-CA 128.815 2.846 . . . . 25.0 110.437 -165.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 82.0 p -137.01 169.12 18.31 Favored 'General case' 0 C--N 1.348 0.521 0 O-C-N 120.383 -1.448 . . . . 25.0 111.892 -176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 39.0 p -128.33 173.71 9.94 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 125.58 1.552 . . . . 25.0 107.939 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 48.85 -127.11 19.13 Favored Glycine 0 C--N 1.354 1.542 0 N-CA-C 118.737 2.255 . . . . 25.0 118.737 169.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -61.46 -42.85 99.4 Favored 'General case' 0 C--N 1.348 0.532 0 C-N-CA 125.25 1.42 . . . . 25.0 114.164 -174.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -60.71 -46.43 90.43 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 126.257 1.823 . . . . 25.0 112.702 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 42.2 tp -65.11 -43.41 92.13 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.313 1.045 . . . . 25.0 112.727 175.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.3 -46.71 88.91 Favored 'General case' 0 C--N 1.352 0.699 0 C-N-CA 124.344 1.058 . . . . 25.0 113.181 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -62.98 -41.54 99.58 Favored 'General case' 0 C--N 1.351 0.653 0 O-C-N 120.899 -1.126 . . . . 25.0 113.315 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 70.0 t-105 -63.79 -44.21 94.02 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 113.479 0.918 . . . . 25.0 113.479 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 46.7 t -62.51 -44.43 96.39 Favored 'General case' 0 C--N 1.347 0.486 0 O-C-N 120.444 -1.41 . . . . 25.0 112.652 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -62.24 -40.56 96.56 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 124.73 1.212 . . . . 25.0 113.936 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 33.3 ttp -59.82 -47.22 86.6 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 125.326 1.451 . . . . 25.0 112.924 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 45.6 tp -65.59 -43.95 88.11 Favored 'General case' 0 C--N 1.349 0.566 0 C-N-CA 124.305 1.042 . . . . 25.0 113.031 179.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -65.53 -40.54 93.03 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 116.468 2.025 . . . . 25.0 116.468 -178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -114.11 106.13 53.47 Favored Pre-proline 0 C--N 1.351 0.668 0 O-C-N 120.892 -1.13 . . . . 25.0 113.301 -163.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -55.64 121.99 10.93 Favored 'Trans proline' 0 N--CA 1.461 -0.392 0 C-N-CA 123.812 3.008 . . . . 25.0 116.507 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 64.97 35.59 8.11 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 125.011 1.324 . . . . 25.0 114.261 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -57.73 129.63 81.48 Favored Pre-proline 0 CA--C 1.543 0.71 0 N-CA-C 115.213 1.56 . . . . 25.0 115.213 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -100.49 -13.71 0.19 Allowed 'Trans proline' 0 CA--C 1.518 -0.324 0 CA-C-N 122.524 1.937 . . . . 25.0 109.91 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 26.7 mm -61.79 148.36 10.08 Favored 'Isoleucine or valine' 0 C--N 1.344 0.341 0 C-N-CA 127.755 2.422 . . . . 25.0 112.395 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -129.25 165.62 21.03 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 124.624 1.17 . . . . 25.0 109.228 -177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -145.3 147.98 32.93 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 121.541 -0.724 . . . . 25.0 109.59 -176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.06 137.88 32.0 Favored 'General case' 0 C--N 1.349 0.545 0 C-N-CA 124.302 1.041 . . . . 25.0 111.213 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -132.38 122.48 25.09 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.566 0.746 . . . . 25.0 109.571 175.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 2.7 m -69.91 133.99 47.93 Favored 'General case' 0 C--N 1.348 0.506 0 O-C-N 120.777 -1.202 . . . . 25.0 111.904 170.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.23 149.74 49.41 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 114.377 1.251 . . . . 25.0 114.377 175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -126.4 157.44 38.53 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 120.693 -1.254 . . . . 25.0 110.365 178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 33.5 m -67.51 151.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 C-N-CA 124.879 1.272 . . . . 25.0 112.811 177.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -61.91 -47.37 85.26 Favored 'General case' 0 C--N 1.355 0.833 0 N-CA-C 114.988 1.477 . . . . 25.0 114.988 -166.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -76.14 -19.71 58.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 O-C-N 120.88 -1.137 . . . . 25.0 114.009 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -67.7 -41.94 82.82 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.193 -1.567 . . . . 25.0 111.728 167.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 75.1 t -62.54 -43.37 98.34 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 124.204 1.002 . . . . 25.0 112.288 173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -58.26 -46.99 84.97 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 121.943 0.878 . . . . 25.0 112.572 174.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.46 97.56 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 124.783 1.233 . . . . 25.0 114.189 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 56.4 ttm -65.38 -44.16 88.41 Favored 'General case' 0 C--N 1.348 0.529 0 C-N-CA 125.114 1.366 . . . . 25.0 113.781 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 41.9 tp -65.26 -35.03 79.77 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 125.5 1.52 . . . . 25.0 114.436 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.35 0.596 0 N-CA-C 116.927 2.195 . . . . 25.0 116.927 -171.798 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 120.516 0.198 . . . . 25.0 110.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.9 tp -116.58 133.47 55.98 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.082 1.353 . . . . 25.0 109.363 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.4 p -79.86 152.91 29.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.389 1.476 . . . . 25.0 110.275 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.3 t -161.17 150.71 16.85 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 121.069 0.461 . . . . 25.0 112.179 -169.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -78.05 20.91 0.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.172 1.789 . . . . 25.0 112.182 169.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -63.87 -37.64 88.12 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.36 0.982 . . . . 25.0 111.537 -177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -77.68 -23.25 49.6 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.92 0.782 . . . . 25.0 112.368 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.2 tp -71.69 -29.97 65.17 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.806 0.73 . . . . 25.0 110.855 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.92 -29.45 35.51 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.427 1.491 . . . . 25.0 111.522 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -79.63 -26.3 41.19 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.114 0.966 . . . . 25.0 111.689 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.2 m -91.52 -21.59 20.81 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.416 1.086 . . . . 25.0 110.579 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 -66.83 -33.59 75.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.844 0.858 . . . . 25.0 110.088 164.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.63 -22.57 27.9 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.783 1.233 . . . . 25.0 112.854 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -81.42 -33.73 31.99 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 123.783 0.833 . . . . 25.0 110.306 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 52.8 t -72.48 -30.06 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 118.065 -0.969 . . . . 25.0 109.775 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -71.16 -30.8 66.9 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.286 0.948 . . . . 25.0 111.716 173.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -75.03 -31.88 61.45 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.532 1.133 . . . . 25.0 111.23 177.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.3 t -91.38 -19.1 7.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 124.474 1.109 . . . . 25.0 110.81 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.2 t -67.73 -35.43 72.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.217 1.007 . . . . 25.0 109.193 163.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -72.91 -34.22 66.49 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.803 0.729 . . . . 25.0 111.723 177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 71.0 mt -71.24 -45.34 71.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 118.698 -0.668 . . . . 25.0 109.34 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 86.8 mmm -73.28 -20.33 60.85 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.071 0.948 . . . . 25.0 113.141 -178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -83.63 -28.0 28.76 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 119.139 0.881 . . . . 25.0 111.174 176.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.87 -28.93 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.482 1.113 . . . . 25.0 110.191 170.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -77.95 -32.18 51.35 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 123.774 0.83 . . . . 25.0 111.332 176.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.0 t -70.02 -36.35 68.21 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 C-N-CA 123.957 0.903 . . . . 25.0 109.635 173.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -70.78 -31.99 68.95 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.42 0.688 . . . . 25.0 111.597 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -79.78 -28.13 40.36 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.211 1.004 . . . . 25.0 111.315 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.3 t -74.67 -35.01 36.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 124.412 1.085 . . . . 25.0 110.088 173.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.4 mt -76.17 -17.29 59.61 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 118.793 0.724 . . . . 25.0 111.682 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.59 -32.15 28.59 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.626 1.171 . . . . 25.0 110.822 170.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -67.82 -27.82 67.04 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.53 1.132 . . . . 25.0 111.263 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -66.58 -37.37 84.79 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.951 0.796 . . . . 25.0 111.07 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -80.92 -15.87 55.1 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.026 1.33 . . . . 25.0 112.334 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -94.58 -30.72 14.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.647 1.179 . . . . 25.0 110.813 175.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 48.6 mt -78.43 -20.96 49.92 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 124.797 1.239 . . . . 25.0 111.826 175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.0 p -74.49 -25.22 59.24 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.321 0.964 . . . . 25.0 111.304 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -88.7 -23.15 23.04 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.021 1.328 . . . . 25.0 111.618 175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.24 -27.05 30.2 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.598 0.636 . . . . 25.0 110.724 172.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.62 -25.05 49.49 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.563 1.145 . . . . 25.0 111.007 173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -74.26 -41.58 61.02 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.249 1.02 . . . . 25.0 110.477 171.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -79.15 -23.54 43.91 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-O 117.75 -1.119 . . . . 25.0 112.438 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.82 -34.28 30.3 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.423 1.01 . . . . 25.0 111.241 178.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -77.99 -27.63 49.12 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.236 1.014 . . . . 25.0 111.456 177.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -86.79 -22.08 26.11 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.613 1.165 . . . . 25.0 112.09 175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 60.9 tp -75.55 -33.79 60.68 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.447 1.099 . . . . 25.0 109.827 169.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -72.31 -33.85 67.68 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.474 1.11 . . . . 25.0 110.882 174.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.31 -39.08 71.66 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 123.71 0.804 . . . . 25.0 111.15 178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.06 -19.01 75.73 Favored Glycine 0 CA--C 1.534 1.231 0 CA-C-O 118.645 -1.086 . . . . 25.0 112.366 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.66 -40.8 20.21 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 118.229 1.015 . . . . 25.0 111.186 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 88.4 p -69.72 -25.97 64.11 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.66 0.784 . . . . 25.0 111.675 177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -82.85 -28.95 29.76 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 124.323 1.049 . . . . 25.0 111.836 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -78.75 -23.79 45.18 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.836 0.744 . . . . 25.0 111.453 173.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -81.33 -32.62 32.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.054 1.341 . . . . 25.0 110.59 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.7 m -71.08 -38.17 72.44 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.869 0.868 . . . . 25.0 110.281 172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 m -72.25 -33.59 67.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 118.55 0.614 . . . . 25.0 111.291 177.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.43 60.48 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.632 0.651 . . . . 25.0 112.323 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.3 -28.22 56.89 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.106 0.962 . . . . 25.0 111.346 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -84.38 -25.9 28.76 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.812 1.245 . . . . 25.0 111.649 176.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.9 mt -72.21 -40.8 67.54 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.16 0.984 . . . . 25.0 109.569 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -68.39 -33.87 75.03 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.287 1.035 . . . . 25.0 110.794 176.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -72.99 -32.99 65.53 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.444 0.698 . . . . 25.0 111.33 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -77.47 -32.67 54.52 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.663 1.185 . . . . 25.0 112.006 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -116.89 -73.42 0.64 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 123.856 0.862 . . . . 25.0 111.297 -169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -65.48 -39.76 92.32 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.698 0.999 . . . . 25.0 113.698 -168.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.5 t90 -75.09 -28.08 60.14 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.041 1.336 . . . . 25.0 111.672 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -72.15 -14.92 61.95 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.753 1.221 . . . . 25.0 111.682 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -115.4 8.14 15.23 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.997 1.719 . . . . 25.0 112.281 176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.5 tp . . . . . 0 C--O 1.251 1.154 0 C-N-CA 124.437 1.095 . . . . 25.0 110.0 177.142 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 66.3 m . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 120.626 0.251 . . . . 25.0 110.955 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -73.53 141.46 46.72 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.111 0.964 . . . . 25.0 109.784 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -162.25 -38.6 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.09 0.956 . . . . 25.0 111.137 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -75.38 -32.43 60.81 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.04 0.936 . . . . 25.0 113.019 -172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 75.1 mt -117.92 8.47 12.59 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 25.0 111.71 -177.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 70.7 m -64.71 -30.97 72.0 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.348 0.976 . . . . 25.0 113.579 -170.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -75.95 -35.23 59.77 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.96 0.8 . . . . 25.0 111.072 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 71.1 mt -76.3 -32.97 22.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 125.461 1.504 . . . . 25.0 110.016 -178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -79.47 -33.48 42.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.556 1.542 . . . . 25.0 111.116 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 54.0 m -75.47 -31.8 60.39 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.676 0.79 . . . . 25.0 110.318 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -68.06 -37.6 81.46 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 118.888 -0.577 . . . . 25.0 110.312 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -66.68 -37.63 85.15 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-O 118.354 -0.831 . . . . 25.0 111.014 173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.4 m -72.74 -17.31 61.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.236 1.015 . . . . 25.0 113.024 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -101.59 -20.78 14.9 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.073 1.349 . . . . 25.0 111.799 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 34.4 mt -77.41 -39.18 27.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 124.141 0.976 . . . . 25.0 108.959 172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 9.2 pt -76.7 -15.81 14.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 CA-C-N 119.738 1.154 . . . . 25.0 112.068 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -76.76 -33.79 58.08 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 119.03 0.832 . . . . 25.0 110.429 172.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.4 -31.68 64.02 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.334 -0.841 . . . . 25.0 110.597 172.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -67.86 -37.82 82.32 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.206 0.912 . . . . 25.0 110.05 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -69.25 -35.98 76.66 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.654 1.182 . . . . 25.0 111.459 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 68.2 m -77.09 -27.44 54.19 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.793 0.837 . . . . 25.0 111.886 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 54.9 mt -77.63 -26.07 14.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.968 1.307 . . . . 25.0 110.196 173.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 29.8 ttm105 -78.67 -29.8 45.86 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.411 1.085 . . . . 25.0 111.234 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -81.73 -27.0 34.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.015 1.326 . . . . 25.0 111.338 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 40.8 tp -75.36 -37.51 60.6 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.741 0.816 . . . . 25.0 110.007 171.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 39.7 t-80 -65.24 -27.98 69.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.314 1.446 . . . . 25.0 111.789 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -70.84 -31.99 68.87 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.33 -0.843 . . . . 25.0 111.458 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 75.0 mtm -87.03 -22.26 25.58 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.847 0.859 . . . . 25.0 112.529 176.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -77.88 -19.37 54.88 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 119.259 0.936 . . . . 25.0 112.046 172.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.79 -29.67 12.86 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.549 1.139 . . . . 25.0 111.805 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -79.95 -40.16 28.67 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 118.513 -0.756 . . . . 25.0 110.884 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 39.0 ttp -72.02 -24.9 61.63 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.379 0.536 . . . . 25.0 111.386 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -68.85 -28.71 66.96 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 123.325 0.65 . . . . 25.0 112.197 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 94.6 mtp -96.29 -18.46 19.98 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.671 1.188 . . . . 25.0 111.999 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 39.0 mt -79.24 -38.84 34.61 Favored 'General case' 0 C--N 1.345 0.402 0 C-N-CA 123.909 0.884 . . . . 25.0 110.552 173.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 41.1 t -67.04 -32.87 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 123.831 0.852 . . . . 25.0 109.849 174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.59 -38.45 67.86 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.223 1.009 . . . . 25.0 111.859 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 62.8 m -76.66 -25.74 54.05 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.973 0.909 . . . . 25.0 112.02 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -85.15 -14.21 47.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.038 1.335 . . . . 25.0 111.327 171.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -79.52 -17.46 75.73 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.518 1.056 . . . . 25.0 111.576 171.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.76 -24.22 38.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.781 1.232 . . . . 25.0 110.76 171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 82.5 mtp -71.99 -41.17 67.96 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.437 0.695 . . . . 25.0 109.638 170.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.59 -29.04 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 C-N-CA 124.84 1.256 . . . . 25.0 110.371 177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.8 -34.0 66.6 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.886 0.874 . . . . 25.0 111.477 176.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 76.0 ttt-85 -78.57 -30.39 46.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.821 0.848 . . . . 25.0 111.262 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.24 -43.13 78.91 Favored 'Isoleucine or valine' 0 C--N 1.343 0.287 0 C-N-CA 124.191 0.996 . . . . 25.0 109.073 175.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -66.58 -36.32 82.36 Favored 'General case' 0 C--N 1.345 0.388 0 CA-C-N 118.743 0.702 . . . . 25.0 110.682 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -68.28 -40.82 81.72 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.907 0.883 . . . . 25.0 111.215 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -74.07 -30.55 62.43 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.428 0.691 . . . . 25.0 112.036 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 50.8 t -83.66 -28.68 7.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.764 1.226 . . . . 25.0 110.819 -179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -68.36 -39.35 81.86 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.167 0.987 . . . . 25.0 110.486 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -79.32 -25.37 42.36 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 117.742 -1.123 . . . . 25.0 111.805 175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.23 -19.3 54.05 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.483 1.038 . . . . 25.0 112.446 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 16.9 t -74.41 -40.1 48.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 C-N-CA 123.986 0.914 . . . . 25.0 108.896 169.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -75.22 -36.52 61.36 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.275 1.03 . . . . 25.0 111.887 -176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -67.04 -43.09 83.64 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.108 0.963 . . . . 25.0 110.557 175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.5 t -69.65 -39.57 78.34 Favored 'Isoleucine or valine' 0 C--N 1.344 0.362 0 C-N-CA 124.112 0.965 . . . . 25.0 111.234 -177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -71.6 -39.14 70.71 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.651 0.66 . . . . 25.0 110.873 -176.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 46.5 mtm105 -76.1 -25.37 55.38 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.773 0.829 . . . . 25.0 111.958 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -69.98 -39.31 76.02 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 118.529 0.604 . . . . 25.0 110.687 175.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 72.0 t -80.36 -25.87 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 118.602 -0.713 . . . . 25.0 110.744 -177.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 62.4 m -70.28 -30.55 67.6 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.886 0.767 . . . . 25.0 111.628 172.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -93.22 -18.45 22.5 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.499 1.119 . . . . 25.0 112.364 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 51.7 m -82.67 -31.25 28.77 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 124.061 0.944 . . . . 25.0 109.998 171.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -64.36 -34.07 77.3 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 119.17 0.895 . . . . 25.0 111.271 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -73.41 -40.46 64.25 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.188 0.995 . . . . 25.0 111.228 176.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -77.03 -26.38 53.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.042 0.937 . . . . 25.0 113.436 -173.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 31.0 t -84.28 -25.79 7.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 125.949 1.7 . . . . 25.0 110.432 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.43 -2.98 41.05 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.648 1.179 . . . . 25.0 112.625 172.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -137.89 15.11 2.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.496 1.518 . . . . 25.0 111.869 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -64.07 -25.0 67.91 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.848 0.859 . . . . 25.0 113.278 -178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 70.5 m . . . . . 0 C--O 1.251 1.183 0 C-N-CA 124.926 1.291 . . . . 25.0 109.807 -177.613 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.026 -0.361 . . . . 25.0 110.026 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -73.01 -26.33 61.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.096 0.959 . . . . 25.0 111.762 -174.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -64.59 -34.55 78.53 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.76 0.824 . . . . 25.0 111.66 178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -76.89 -32.45 57.45 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 118.734 0.697 . . . . 25.0 111.538 179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.76 -31.08 61.68 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.032 . . . . 25.0 111.5 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -81.06 -31.84 34.27 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.562 1.145 . . . . 25.0 111.323 176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -77.36 -24.31 50.69 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.131 0.972 . . . . 25.0 111.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 59.8 ttp -75.34 -35.11 61.24 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.531 0.732 . . . . 25.0 110.884 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -78.75 -28.91 44.9 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.39 0.676 . . . . 25.0 111.235 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -69.99 -36.87 75.51 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.598 1.159 . . . . 25.0 110.618 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -79.98 -29.39 39.55 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.671 1.189 . . . . 25.0 111.209 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.22 -32.7 64.91 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.194 0.906 . . . . 25.0 111.542 176.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -76.52 -30.69 57.27 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.86 1.264 . . . . 25.0 111.058 175.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -73.69 -38.1 64.99 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.432 1.093 . . . . 25.0 110.669 176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 66.8 mt -74.67 -16.17 60.78 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.131 0.972 . . . . 25.0 112.136 176.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.36 -29.28 18.16 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.101 0.96 . . . . 25.0 112.024 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.36 -30.54 15.75 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.244 1.018 . . . . 25.0 111.986 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -86.09 -18.76 31.52 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.182 -0.913 . . . . 25.0 111.875 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 44.4 m -82.86 -29.47 29.34 Favored 'General case' 0 C--N 1.345 0.385 0 CA-C-N 119.031 0.832 . . . . 25.0 111.108 168.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 64.5 tp -74.19 -40.31 62.58 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.469 0.577 . . . . 25.0 110.299 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -76.63 -22.94 53.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 118.433 -0.794 . . . . 25.0 111.178 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 35.5 t -67.17 -42.85 83.57 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 119.282 0.946 . . . . 25.0 110.819 173.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 82.4 p -77.36 -11.36 59.83 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.944 0.897 . . . . 25.0 112.546 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -93.57 -26.18 17.23 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.968 1.307 . . . . 25.0 111.145 172.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 -77.13 -28.14 54.22 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 124.059 0.943 . . . . 25.0 110.615 169.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 52.2 mtt -63.09 -42.55 99.65 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-O 118.748 -0.644 . . . . 25.0 109.587 166.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 13.9 tp -77.07 -9.41 58.71 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.974 0.91 . . . . 25.0 112.224 -173.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -86.16 -49.81 7.47 Favored 'General case' 0 C--N 1.346 0.434 0 C-N-CA 124.199 1.0 . . . . 25.0 110.019 164.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 49.6 mt -67.61 -42.78 81.86 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.531 1.133 . . . . 25.0 112.535 -171.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.34 -26.8 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.028 1.331 . . . . 25.0 111.607 -173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -83.32 -25.3 31.63 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.983 1.313 . . . . 25.0 110.832 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -83.69 -20.39 33.6 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.804 1.242 . . . . 25.0 111.717 171.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 69.5 m -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.345 0.412 0 C-N-CA 123.749 0.82 . . . . 25.0 110.354 169.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -81.8 -30.83 32.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.644 1.178 . . . . 25.0 111.239 178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -74.11 -36.13 64.21 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.697 0.799 . . . . 25.0 110.713 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.69 -19.98 47.65 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.735 0.814 . . . . 25.0 111.834 172.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -86.6 -23.37 43.2 Favored Glycine 0 CA--C 1.531 1.092 0 CA-C-O 118.762 -1.021 . . . . 25.0 112.865 -178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 13.6 tt -93.39 -28.51 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 124.322 1.049 . . . . 25.0 110.886 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 39.0 mtm105 -76.62 -26.64 55.18 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-O 118.336 -0.84 . . . . 25.0 111.448 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 51.5 m -78.57 -27.54 45.75 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-O 118.537 -0.744 . . . . 25.0 110.776 173.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.79 -28.02 50.32 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.837 0.744 . . . . 25.0 111.433 176.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.2 t -77.56 -28.21 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.011 1.324 . . . . 25.0 110.152 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 60.2 ttm -78.71 -28.67 45.13 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.929 0.892 . . . . 25.0 111.167 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 30.8 mt -76.8 -26.14 54.09 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.626 1.17 . . . . 25.0 111.03 172.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.244 0.618 . . . . 25.0 110.157 174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -82.78 -19.98 36.71 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.049 -0.977 . . . . 25.0 112.821 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -77.56 -23.14 50.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.541 1.064 . . . . 25.0 110.716 165.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.52 -14.36 82.51 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.648 -1.084 . . . . 25.0 111.765 169.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -86.53 -30.95 21.54 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.894 1.278 . . . . 25.0 110.685 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -74.0 -39.96 63.27 Favored 'General case' 0 C--N 1.345 0.409 0 C-N-CA 123.95 0.9 . . . . 25.0 110.455 173.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 72.2 mt -76.73 -19.28 57.84 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.498 1.119 . . . . 25.0 111.819 179.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -73.23 -34.43 65.89 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-O 118.584 -0.722 . . . . 25.0 110.532 169.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -78.97 -23.05 44.78 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.893 0.877 . . . . 25.0 112.466 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 44.1 t -79.03 -40.1 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 118.226 -0.892 . . . . 25.0 109.36 175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -71.26 -32.12 68.34 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 119.008 0.822 . . . . 25.0 111.367 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -73.14 -28.35 62.19 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.139 1.375 . . . . 25.0 110.859 171.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.66 -25.45 60.62 Favored Glycine 0 CA--C 1.532 1.152 0 CA-C-O 118.728 -1.04 . . . . 25.0 112.132 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.8 mmt -79.58 -27.6 41.16 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.36 1.08 . . . . 25.0 110.684 171.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -74.31 -33.74 63.28 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.615 0.766 . . . . 25.0 110.839 175.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 49.5 m170 -81.83 -29.42 32.6 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.165 0.986 . . . . 25.0 112.409 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 41.2 mt -69.61 -41.22 80.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.329 0 CA-C-O 118.304 -0.855 . . . . 25.0 109.011 172.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -70.21 -27.7 64.69 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.69 0.677 . . . . 25.0 111.983 178.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -75.41 -33.21 60.94 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.567 1.147 . . . . 25.0 111.389 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -82.1 -23.61 35.63 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.908 0.883 . . . . 25.0 111.802 174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 27.8 mmt -75.39 -17.74 60.12 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.817 0.847 . . . . 25.0 111.75 174.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -77.01 -38.01 53.89 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 124.087 0.955 . . . . 25.0 110.34 169.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 65.4 mm-40 -72.16 -21.22 61.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.756 0.822 . . . . 25.0 111.542 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -79.67 -33.53 41.11 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.202 1.001 . . . . 25.0 110.906 172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -67.76 -31.12 70.8 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.43 1.092 . . . . 25.0 111.548 -176.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 32.7 mtmm -78.76 -35.8 44.04 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.017 0.927 . . . . 25.0 112.18 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -85.26 -29.02 24.96 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.505 0.722 . . . . 25.0 112.575 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.49 -21.67 32.75 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.032 0.933 . . . . 25.0 111.74 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -69.63 -30.87 68.7 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.511 1.124 . . . . 25.0 110.426 168.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -86.36 -23.79 26.04 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.363 1.065 . . . . 25.0 112.064 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 47.5 tp -68.06 130.93 44.45 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 124.333 1.053 . . . . 25.0 109.474 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 79.21 102.82 0.23 Allowed Glycine 0 CA--C 1.527 0.807 0 N-CA-C 107.72 -2.152 . . . . 25.0 107.72 -164.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 tptt . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.833 -1.08 . . . . 25.0 110.927 -168.728 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.026 0 N-CA-C 111.277 -0.729 . . . . 25.0 111.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -148.04 138.8 7.3 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.274 -1.13 . . . . 25.0 110.274 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -168.34 -37.82 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.368 1.067 . . . . 25.0 111.585 -174.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 26.0 pt -126.14 162.66 29.42 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.253 1.421 . . . . 25.0 110.511 -176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -67.21 119.17 11.67 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.359 -0.978 . . . . 25.0 108.359 171.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -86.93 137.15 32.61 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.876 0.87 . . . . 25.0 108.76 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 51.1 t -139.14 -52.48 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.674 1.19 . . . . 25.0 109.189 -175.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 38.8 p -84.76 153.68 22.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.282 1.033 . . . . 25.0 110.976 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 -82.23 -5.44 58.52 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.401 1.08 . . . . 25.0 112.871 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -74.17 147.17 42.84 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 124.585 1.154 . . . . 25.0 111.219 -172.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -70.88 -20.02 62.56 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.625 1.17 . . . . 25.0 113.309 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.83 -23.7 66.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.419 1.088 . . . . 25.0 112.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -75.48 -33.58 60.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.425 1.09 . . . . 25.0 111.628 178.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -76.32 -28.03 56.77 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.626 0.771 . . . . 25.0 111.053 173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -78.91 -32.64 45.8 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-O 117.888 -1.053 . . . . 25.0 111.965 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -78.09 -25.27 47.51 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.275 0.943 . . . . 25.0 111.458 175.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.89 -35.19 72.21 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.103 1.361 . . . . 25.0 110.485 172.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -83.79 -20.97 32.35 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.495 1.518 . . . . 25.0 111.599 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -79.81 -28.73 40.15 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 123.79 0.836 . . . . 25.0 110.469 168.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.16 -21.27 56.74 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.948 0.899 . . . . 25.0 111.76 171.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -74.05 -34.69 64.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.843 0.857 . . . . 25.0 110.224 172.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -78.92 -35.47 43.39 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.554 1.142 . . . . 25.0 111.316 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 18.5 t -70.83 -43.5 76.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 124.683 1.193 . . . . 25.0 109.524 177.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 21.7 t -72.4 -18.27 61.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.259 1.024 . . . . 25.0 112.308 177.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.22 -31.05 32.33 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.218 0.913 . . . . 25.0 111.47 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.6 mt -77.13 -34.06 21.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 CA-C-O 117.842 -1.075 . . . . 25.0 109.243 172.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 53.8 mt -69.95 -28.15 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 124.829 1.252 . . . . 25.0 110.335 173.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -71.89 -11.82 74.29 Favored Glycine 0 CA--C 1.535 1.31 0 CA-C-O 118.825 -0.986 . . . . 25.0 112.634 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -108.53 -29.32 8.84 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.7 1.6 . . . . 25.0 111.233 172.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 17.8 tp -78.69 -19.03 53.43 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.904 1.282 . . . . 25.0 111.384 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -75.09 -27.09 59.76 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.507 1.123 . . . . 25.0 111.857 173.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -95.58 -24.31 16.66 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.916 1.287 . . . . 25.0 111.355 177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 61.0 ttm -75.73 -35.88 60.09 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.255 1.022 . . . . 25.0 110.003 174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.18 72.24 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 123.682 0.793 . . . . 25.0 111.175 176.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 34.3 tp -79.02 -34.01 44.33 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.297 0.639 . . . . 25.0 111.588 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -77.95 -36.2 49.46 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 123.914 0.886 . . . . 25.0 111.3 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 40.1 ttp -70.71 -28.29 64.63 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-O 118.704 -0.665 . . . . 25.0 110.663 173.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.76 -23.68 77.7 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-O 118.925 -0.931 . . . . 25.0 112.167 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -85.47 -31.69 22.66 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.149 0.98 . . . . 25.0 111.031 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -75.84 -14.54 60.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.223 0.92 . . . . 25.0 111.948 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 22.6 mt -83.75 -40.78 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 125.437 1.495 . . . . 25.0 109.16 171.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -84.89 -29.31 25.32 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.838 0.855 . . . . 25.0 112.935 -173.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 99.9 m -75.04 -31.42 61.32 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.03 0.932 . . . . 25.0 109.967 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -81.46 -22.76 37.9 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.434 -0.793 . . . . 25.0 111.6 174.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.59 -30.92 67.74 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.4 1.0 . . . . 25.0 110.519 169.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 41.6 mtm105 -83.52 -15.13 50.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.894 1.278 . . . . 25.0 112.246 173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -80.28 -38.02 31.67 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 118.881 0.764 . . . . 25.0 109.955 168.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.22 -31.54 52.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 25.0 109.321 175.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.59 -30.96 59.78 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.467 1.107 . . . . 25.0 111.962 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.8 ttp-105 -74.98 -34.28 61.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.68 0.792 . . . . 25.0 110.618 175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 64.2 mt -74.29 -31.98 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.095 1.358 . . . . 25.0 110.185 176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 12.8 mmm -65.36 -28.56 69.37 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.848 1.259 . . . . 25.0 111.712 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.14 -38.31 72.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.763 0.825 . . . . 25.0 110.58 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -83.52 -24.89 31.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.49 0.716 . . . . 25.0 111.859 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -77.12 -28.15 54.28 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.715 1.206 . . . . 25.0 111.411 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -81.28 -34.05 32.28 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.236 1.014 . . . . 25.0 110.753 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 53.0 m -74.2 -33.07 63.3 Favored 'General case' 0 C--N 1.345 0.375 0 C-N-CA 123.979 0.912 . . . . 25.0 111.862 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -82.95 -25.04 32.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 118.393 -0.813 . . . . 25.0 111.516 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -73.17 -29.24 62.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.848 0.859 . . . . 25.0 110.93 173.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 55.2 m -75.2 -41.09 58.56 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.344 1.058 . . . . 25.0 110.38 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -84.29 -21.07 31.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.832 0.853 . . . . 25.0 112.827 -170.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.2 tt -82.03 -27.72 9.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.738 0.699 . . . . 25.0 111.184 176.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -75.72 -35.55 60.22 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.214 1.006 . . . . 25.0 109.993 171.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -63.48 -40.17 96.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.304 1.041 . . . . 25.0 110.382 173.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -72.25 -32.08 66.37 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.23 1.012 . . . . 25.0 112.042 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -82.18 -25.73 34.0 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.785 0.834 . . . . 25.0 112.124 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -72.4 -35.13 68.33 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.021 0.928 . . . . 25.0 111.319 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 81.6 mtm180 -78.36 -18.21 55.41 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.288 1.035 . . . . 25.0 112.061 176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -88.61 -33.1 17.77 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.398 1.079 . . . . 25.0 112.121 177.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 48.9 m -86.56 -19.38 29.52 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.88 1.272 . . . . 25.0 112.603 -171.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -68.03 -17.43 64.41 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.971 0.805 . . . . 25.0 112.666 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 87.6 mmm -97.36 6.7 47.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.555 1.542 . . . . 25.0 111.922 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 91.0 mt -127.91 159.6 34.42 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 125.41 1.484 . . . . 25.0 111.028 -173.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.443 -1.754 . . . . 25.0 110.405 174.34 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 N--CA 1.474 0.767 0 CA-C-O 120.703 0.287 . . . . 25.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -157.08 153.17 24.47 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.584 1.087 . . . . 25.0 111.317 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -89.89 -134.4 5.49 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.902 1.239 . . . . 25.0 111.535 -177.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -90.67 -176.14 44.31 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.118 1.342 . . . . 25.0 112.994 -172.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 86.95 130.36 2.91 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 125.01 1.291 . . . . 25.0 111.493 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -96.22 155.91 21.14 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.582 1.086 . . . . 25.0 111.227 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 14.6 tt -72.54 -31.64 38.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.027 0.931 . . . . 25.0 110.947 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 94.2 mt -86.34 157.73 19.82 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 125.079 1.352 . . . . 25.0 109.283 167.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.52 132.31 50.89 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.629 0.771 . . . . 25.0 109.728 177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -69.55 139.09 53.73 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.709 0.804 . . . . 25.0 110.386 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 46.9 tp -82.57 -24.78 33.82 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.456 0.702 . . . . 25.0 110.31 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . -168.07 -171.27 33.8 Favored Glycine 0 C--N 1.343 0.954 0 CA-C-O 122.165 0.869 . . . . 25.0 113.347 176.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 275' ' ' ASP . . . . . 0.466 ' H ' ' HB3' ' E' ' 297' ' ' LYS . 8.3 m-20 -128.36 -176.75 3.91 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.085 2.154 . . . . 25.0 108.357 174.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 21.0 tt -157.12 124.79 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.655 1.182 . . . . 25.0 108.882 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.1 t -93.78 143.66 26.13 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.881 0.872 . . . . 25.0 109.133 172.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -157.92 160.61 37.78 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.66 1.184 . . . . 25.0 109.584 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.2 m -119.3 148.88 42.66 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.281 1.433 . . . . 25.0 110.409 -168.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 90.8 mt -134.15 160.45 37.76 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.646 1.579 . . . . 25.0 110.105 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 71.8 ttt-85 -175.92 149.24 0.9 Allowed 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 127.915 2.486 . . . . 25.0 107.216 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -142.02 112.02 6.86 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 122.993 0.517 . . . . 25.0 110.66 -178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.1 t -79.25 130.56 68.66 Favored Pre-proline 0 CA--C 1.542 0.654 0 N-CA-C 107.529 -1.286 . . . . 25.0 107.529 171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.81 -36.1 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.963 2.442 . . . . 25.0 113.113 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 57.5 p -78.28 -33.65 49.4 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.943 0.897 . . . . 25.0 111.995 -173.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -90.92 -18.67 24.35 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.463 1.105 . . . . 25.0 112.002 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 72.41 11.21 76.11 Favored Glycine 0 CA--C 1.536 1.393 0 CA-C-O 118.935 -0.925 . . . . 25.0 112.13 -170.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -78.44 95.32 5.09 Favored 'General case' 0 C--N 1.344 0.363 0 CA-C-N 118.322 1.061 . . . . 25.0 110.581 -166.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 48.5 tp -76.39 98.77 4.65 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.647 1.579 . . . . 25.0 107.462 169.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 70.7 m -86.36 134.2 33.74 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.011 1.325 . . . . 25.0 108.908 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 24.4 t -138.49 141.4 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.373 1.469 . . . . 25.0 108.356 -177.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 13.0 p -160.94 135.08 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 124.498 1.119 . . . . 25.0 109.536 174.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 89.0 mt -87.64 127.41 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 14.4 tp -94.14 -55.23 3.27 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.242 1.017 . . . . 25.0 111.407 -167.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -147.07 175.68 10.52 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.345 1.458 . . . . 25.0 110.825 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -153.91 154.94 34.77 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.024 1.73 . . . . 25.0 110.136 175.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 297' ' ' LYS . . . . . 0.466 ' HB3' ' H ' ' E' ' 275' ' ' ASP . 6.5 tppt? -100.16 -27.2 13.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.145 0.978 . . . . 25.0 112.019 -176.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -168.37 156.73 8.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.199 1.4 . . . . 25.0 110.771 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.5 pp -152.47 162.24 41.47 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.315 1.446 . . . . 25.0 110.856 167.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.39 151.47 45.17 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.339 1.456 . . . . 25.0 112.145 -170.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -73.4 161.02 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.976 1.31 . . . . 25.0 112.551 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 13.5 ttp -81.93 148.99 28.44 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.345 1.458 . . . . 25.0 110.225 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -73.64 -17.47 61.15 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.834 1.05 . . . . 25.0 113.834 -169.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 9.6 p -76.14 -16.38 15.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 124.117 0.967 . . . . 25.0 111.93 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 115.46 -2.49 21.99 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.77 1.652 . . . . 25.0 113.171 -178.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -90.19 -164.99 40.26 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-N 118.507 1.153 . . . . 25.0 111.977 178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 97.6 mt -97.48 143.33 28.3 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 124.797 1.239 . . . . 25.0 109.32 172.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 69.6 m -81.94 168.3 18.03 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.524 0.678 . . . . 25.0 110.587 170.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -112.55 149.84 41.73 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.334 1.453 . . . . 25.0 109.424 175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.79 115.98 3.55 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.698 2.932 . . . . 25.0 111.983 -174.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -129.12 144.3 51.15 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.79 1.636 . . . . 25.0 108.197 167.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 17.3 m -145.49 164.83 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.428 1.491 . . . . 25.0 109.691 -166.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -150.73 128.2 11.44 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 114.895 -1.048 . . . . 25.0 108.682 167.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 84.4 mt -94.15 147.81 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 125.502 1.521 . . . . 25.0 107.257 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -132.64 113.45 13.04 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 107.856 -1.165 . . . . 25.0 107.856 176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 17.0 tp -75.09 136.24 41.15 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 166.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 40.9 mtt -143.34 178.59 7.64 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.492 1.117 . . . . 25.0 110.558 -171.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -166.78 125.05 1.37 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 127.059 2.144 . . . . 25.0 108.088 174.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 15.5 m120 62.08 20.12 11.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.006 1.322 . . . . 25.0 112.23 -176.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 88.21 -11.55 67.21 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 126.016 1.769 . . . . 25.0 113.91 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -92.2 159.76 15.49 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 124.87 1.268 . . . . 25.0 110.425 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -68.88 162.8 25.78 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.881 1.272 . . . . 25.0 113.006 -171.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 41.3 tp -145.89 -62.63 0.32 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.458 1.503 . . . . 25.0 108.659 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -143.72 -171.32 3.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.476 1.51 . . . . 25.0 109.908 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -165.5 172.14 12.45 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.547 1.539 . . . . 25.0 111.335 -177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -155.07 149.88 26.63 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.165 1.786 . . . . 25.0 108.368 178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -146.44 164.34 32.78 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.291 1.036 . . . . 25.0 110.677 172.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 66.2 p -126.0 -160.78 1.0 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.964 1.306 . . . . 25.0 110.534 -166.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 69.4 p -129.74 169.61 14.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.516 1.526 . . . . 25.0 108.652 163.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 23.4 pt -68.77 137.72 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.088 0.471 . . . . 25.0 111.324 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -98.72 115.46 28.78 Favored 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 105.972 -1.862 . . . . 25.0 105.972 162.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -84.37 144.05 29.06 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 -164.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 13.9 t30 60.36 59.25 2.33 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.202 2.201 . . . . 25.0 111.73 174.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 12.5 t -166.36 164.6 17.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.625 1.57 . . . . 25.0 109.967 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 36.6 tp -102.36 -47.88 4.35 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.342 1.457 . . . . 25.0 109.397 170.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -79.11 124.78 84.47 Favored Pre-proline 0 CA--C 1.537 0.457 0 C-N-CA 123.989 0.916 . . . . 25.0 109.114 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.79 164.93 25.09 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 123.001 2.467 . . . . 25.0 111.64 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -151.68 147.68 27.02 Favored 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.687 1.195 . . . . 25.0 109.652 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -139.09 136.06 34.8 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.314 1.446 . . . . 25.0 108.38 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -64.55 -30.44 71.47 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.34 1.056 . . . . 25.0 112.324 -172.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -140.87 156.15 46.17 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.265 1.426 . . . . 25.0 109.294 168.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 49.9 m -73.67 147.82 43.33 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.112 0.965 . . . . 25.0 110.98 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -72.81 170.55 14.41 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.807 1.243 . . . . 25.0 110.061 170.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 88.6 p -163.63 168.97 19.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 113.764 1.024 . . . . 25.0 113.764 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -149.02 137.58 21.09 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.615 1.966 . . . . 25.0 108.611 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -92.24 119.79 32.19 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.637 -0.505 . . . . 25.0 109.637 174.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 48.6 t -148.63 124.53 5.19 Favored Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 126.307 1.843 . . . . 25.0 106.819 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -73.76 156.58 48.59 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.885 2.39 . . . . 25.0 110.944 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -67.05 -21.19 65.91 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.424 0.689 . . . . 25.0 112.548 -176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -74.77 1.33 12.72 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.517 1.527 . . . . 25.0 112.371 177.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -139.13 -13.18 1.2 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.701 1.6 . . . . 25.0 111.779 -175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 6.4 tt -81.99 -4.7 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.932 0.893 . . . . 25.0 113.156 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -27.8 62.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.642 0.777 . . . . 25.0 112.907 -177.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -88.79 -18.08 28.45 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.509 1.123 . . . . 25.0 111.313 173.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 56.1 t -76.53 149.92 6.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.138 1.375 . . . . 25.0 110.764 -173.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -144.34 176.39 9.39 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 127.537 2.335 . . . . 25.0 108.71 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 7.9 p -142.12 143.65 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.289 0.636 . . . . 25.0 109.858 175.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 60.3 t -131.8 119.89 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 C-N-CA 125.421 1.488 . . . . 25.0 107.845 -171.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.14 144.73 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 108.182 -1.044 . . . . 25.0 108.182 170.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 90.2 m -139.24 119.26 13.44 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 124.85 1.26 . . . . 25.0 108.027 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 22.2 t -85.94 144.36 9.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -165.48 167.48 17.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.625 1.17 . . . . 25.0 112.087 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.88 144.71 36.71 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.84 1.256 . . . . 25.0 110.679 176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -80.91 -8.03 59.63 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.819 1.248 . . . . 25.0 114.159 -171.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -67.15 115.26 6.63 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 119.201 0.909 . . . . 25.0 109.461 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -77.74 -22.11 50.81 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.577 1.151 . . . . 25.0 111.265 -177.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 47.4 mt -76.72 -32.87 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.4 1.48 . . . . 25.0 109.546 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -70.1 156.09 53.3 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 124.75 1.167 . . . . 25.0 112.57 -173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -68.53 147.94 51.27 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.642 1.177 . . . . 25.0 110.974 -176.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -68.91 127.35 32.79 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.931 0.892 . . . . 25.0 109.97 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -167.14 136.7 2.86 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.063 1.345 . . . . 25.0 109.413 -175.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -94.1 135.61 35.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.926 0.89 . . . . 25.0 110.608 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 94.9 mt -76.0 -34.21 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 C-N-CA 125.456 1.502 . . . . 25.0 108.917 166.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -175.65 172.62 45.62 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.783 1.182 . . . . 25.0 112.072 175.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -148.97 150.18 32.43 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.395 1.078 . . . . 25.0 111.775 -178.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 9.9 m -135.34 159.56 40.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.136 1.774 . . . . 25.0 108.798 165.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -156.16 137.06 13.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.237 1.015 . . . . 25.0 110.032 -177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 22.2 m -143.29 145.35 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.067 1.347 . . . . 25.0 110.089 -172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 108.0 -127.53 8.73 Favored Glycine 0 C--N 1.34 0.768 0 C-N-CA 124.723 1.154 . . . . 25.0 111.015 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -63.11 140.52 58.88 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.704 0.802 . . . . 25.0 111.202 -177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . 0.287 0.4 OUTLIER 60.63 2.14 0.47 Allowed 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.584 2.754 . . . . 25.0 115.102 -173.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.2 m -89.62 158.8 17.46 Favored 'General case' 0 C--N 1.343 0.315 0 C-N-CA 124.519 1.127 . . . . 25.0 109.73 167.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 71.9 p -139.91 159.6 41.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.471 1.108 . . . . 25.0 110.618 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 76.83 -131.59 11.51 Favored Glycine 0 C--N 1.341 0.823 0 N-CA-C 110.682 -0.967 . . . . 25.0 110.682 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -70.22 -22.68 62.89 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.412 1.085 . . . . 25.0 112.777 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -77.19 -26.14 52.55 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.633 1.173 . . . . 25.0 110.822 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 54.5 tp -80.68 -32.98 35.84 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.177 0.591 . . . . 25.0 110.567 169.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 34.1 ttm105 -74.32 -32.74 62.94 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.345 1.058 . . . . 25.0 112.454 -171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -65.07 -33.67 76.6 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.336 1.054 . . . . 25.0 111.302 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 62.9 t-105 -86.75 -38.82 16.55 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.424 1.49 . . . . 25.0 111.966 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.8 m -81.65 -16.25 51.98 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 118.258 -0.877 . . . . 25.0 113.117 -172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -81.09 -39.85 25.03 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.092 0.86 . . . . 25.0 111.553 -178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.88 -10.14 59.18 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.312 0.645 . . . . 25.0 112.531 176.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 85.9 mt -95.5 -26.82 15.66 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.073 1.349 . . . . 25.0 111.596 170.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -72.89 -22.0 60.83 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.167 0.987 . . . . 25.0 112.029 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -139.81 101.28 7.19 Favored Pre-proline 0 N--CA 1.451 -0.377 0 N-CA-C 106.789 -1.559 . . . . 25.0 106.789 163.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -58.55 139.5 90.95 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 C-N-CA 123.385 2.723 . . . . 25.0 111.586 172.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 79.8 mtt85 84.51 -1.69 0.96 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 129.502 3.121 . . . . 25.0 112.343 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -79.03 122.02 83.98 Favored Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 119.185 0.902 . . . . 25.0 109.253 175.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -76.8 157.12 35.27 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.177 2.585 . . . . 25.0 110.748 172.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 19.3 tt -158.67 153.95 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 125.242 1.417 . . . . 25.0 108.808 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -152.93 142.2 21.53 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 125.003 1.321 . . . . 25.0 109.204 177.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -162.69 139.52 7.72 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.766 0.426 . . . . 25.0 111.187 -167.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.7 m95 -79.37 150.13 31.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.084 1.354 . . . . 25.0 110.925 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -152.37 142.04 21.86 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.603 1.561 . . . . 25.0 109.588 -178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 23.2 m -73.24 128.5 35.65 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.705 1.202 . . . . 25.0 111.109 -174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.5 134.49 51.42 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.913 0.885 . . . . 25.0 109.563 170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -130.27 157.84 41.4 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 125.66 1.584 . . . . 25.0 110.275 -170.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.14 140.73 18.89 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.446 1.098 . . . . 25.0 109.051 175.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -62.21 -31.89 72.48 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.028 1.331 . . . . 25.0 112.612 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -74.48 -31.04 62.08 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.247 1.019 . . . . 25.0 111.615 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.25 -36.14 63.84 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 123.758 0.823 . . . . 25.0 111.46 175.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 42.8 t -76.54 -39.73 33.14 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 C-N-CA 124.237 1.015 . . . . 25.0 110.458 -175.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.6 -20.69 63.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.835 0.854 . . . . 25.0 112.551 -178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.21 -21.31 59.86 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.224 1.01 . . . . 25.0 112.383 174.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 25.4 mmt -88.74 -25.04 22.51 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.494 1.118 . . . . 25.0 111.405 172.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 80.3 mt -78.29 -5.27 51.56 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.261 1.024 . . . . 25.0 111.763 171.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.098 0.959 . . . . 25.0 112.339 170.303 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 110.514 -0.18 . . . . 25.0 110.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 pp -115.27 4.77 14.55 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.337 1.455 . . . . 25.0 113.438 -172.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 51.7 p -64.83 155.17 34.89 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.522 1.129 . . . . 25.0 111.673 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 98.6 p -153.85 159.98 42.02 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.228 1.011 . . . . 25.0 111.731 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -85.53 22.94 1.45 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.687 1.595 . . . . 25.0 111.953 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.6 ttt85 -58.93 -38.09 78.18 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 124.224 1.01 . . . . 25.0 111.83 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -80.17 -16.07 55.68 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 118.339 -0.838 . . . . 25.0 112.172 -176.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.57 -28.19 64.7 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.403 1.001 . . . . 25.0 111.016 165.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -82.71 -30.27 29.24 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.257 1.023 . . . . 25.0 111.355 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -75.25 -36.79 61.23 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.77 0.828 . . . . 25.0 110.551 175.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 91.5 m -80.44 -25.22 39.08 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.2 -0.905 . . . . 25.0 110.443 178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -68.01 -33.89 75.45 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 119.64 1.109 . . . . 25.0 110.556 169.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.96 -22.86 55.49 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.741 0.816 . . . . 25.0 112.179 175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -85.21 -28.8 25.18 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 124.185 0.994 . . . . 25.0 111.63 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -73.9 -38.62 50.43 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 CA-C-N 119.204 0.911 . . . . 25.0 108.729 171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -68.17 -29.22 68.05 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 25.0 111.796 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -76.81 -31.4 56.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.685 1.194 . . . . 25.0 111.527 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 95.3 t -91.38 -21.18 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.033 0.933 . . . . 25.0 110.968 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.0 t -73.3 -30.48 30.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 124.417 1.087 . . . . 25.0 109.482 165.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.22 -33.13 71.29 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.877 0.762 . . . . 25.0 111.417 175.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 67.1 mt -72.46 -47.05 53.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 108.966 -0.754 . . . . 25.0 108.966 174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.3 mmm -73.5 -18.8 61.06 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.078 0.951 . . . . 25.0 113.459 -174.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 31.4 ttp-105 -73.67 -38.32 64.98 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.122 0.873 . . . . 25.0 109.42 174.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.3 t -75.04 -25.48 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 125.025 1.33 . . . . 25.0 110.65 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -76.76 -38.72 53.62 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 118.989 0.813 . . . . 25.0 111.0 176.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.8 t -76.72 -23.63 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 C-N-CA 124.183 0.993 . . . . 25.0 110.31 176.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.47 -38.22 71.28 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 119.017 0.826 . . . . 25.0 110.741 171.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -84.35 -22.3 30.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.258 1.023 . . . . 25.0 112.691 -177.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -29.92 13.31 Favored 'Isoleucine or valine' 0 C--N 1.346 0.453 0 CA-C-N 119.344 0.974 . . . . 25.0 110.235 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 92.4 mt -80.76 -20.13 43.38 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 118.407 -0.806 . . . . 25.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -80.51 -29.11 37.28 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 118.908 0.776 . . . . 25.0 110.398 170.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 19.4 ttp180 -70.03 -33.75 72.39 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 118.538 -0.744 . . . . 25.0 109.552 169.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -70.24 -36.14 74.3 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 124.504 1.122 . . . . 25.0 112.023 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.6 -38.12 89.92 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 124.535 1.134 . . . . 25.0 110.584 175.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.22 -22.48 35.88 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 25.0 111.832 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.5 mt -80.3 -31.64 38.18 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.612 1.165 . . . . 25.0 111.655 177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.9 m -72.13 -24.8 61.52 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.547 0.739 . . . . 25.0 111.574 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -99.5 -23.82 14.97 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.859 1.264 . . . . 25.0 111.802 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -75.78 -30.71 59.21 Favored 'General case' 0 C--N 1.346 0.436 0 CA-C-N 118.903 0.774 . . . . 25.0 110.495 171.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -69.95 -31.61 69.43 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.261 0.624 . . . . 25.0 111.186 174.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -77.6 -35.78 52.54 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.131 0.972 . . . . 25.0 111.551 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -82.89 -26.96 31.04 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.147 0.979 . . . . 25.0 112.01 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.16 -32.67 63.21 Favored 'General case' 0 C--N 1.343 0.297 0 C-N-CA 123.776 0.83 . . . . 25.0 110.89 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -76.03 -24.43 55.21 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.297 1.039 . . . . 25.0 111.546 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -84.37 -21.66 30.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.417 1.087 . . . . 25.0 112.031 173.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.5 tt -75.24 -40.8 58.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.119 1.367 . . . . 25.0 108.647 170.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -65.35 -33.27 75.57 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.177 1.391 . . . . 25.0 111.093 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.91 -34.14 68.86 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 123.643 0.777 . . . . 25.0 111.573 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.62 -26.35 63.27 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.061 -0.855 . . . . 25.0 111.83 174.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.43 -29.61 52.99 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.642 1.177 . . . . 25.0 111.452 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -71.42 -35.34 70.93 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 124.177 0.991 . . . . 25.0 110.545 173.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -71.92 -36.71 70.04 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 123.859 0.864 . . . . 25.0 111.23 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -77.39 -28.74 52.89 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.461 0.705 . . . . 25.0 112.024 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -74.38 -34.8 63.44 Favored 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.143 0.977 . . . . 25.0 110.588 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.6 m -71.23 -42.0 69.44 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.344 1.057 . . . . 25.0 110.594 174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.5 m -76.68 -25.18 53.39 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 123.668 0.787 . . . . 25.0 112.794 -176.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.15 -28.84 31.93 Favored 'General case' 0 C--N 1.343 0.296 0 C-N-CA 123.473 0.709 . . . . 25.0 111.796 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.05 -30.32 65.04 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.923 . . . . 25.0 111.554 174.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -77.57 -32.36 53.73 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.851 1.26 . . . . 25.0 111.153 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.74 -24.88 35.82 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.157 0.983 . . . . 25.0 111.28 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -68.75 -37.08 79.14 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.296 1.038 . . . . 25.0 110.634 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -68.67 -34.62 76.0 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.728 0.811 . . . . 25.0 111.032 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -70.3 -45.2 66.76 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 118.856 -0.592 . . . . 25.0 110.873 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -78.28 -15.62 58.57 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.433 0.901 . . . . 25.0 113.433 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 70.4 t90 -76.33 -45.78 30.63 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.988 0.813 . . . . 25.0 110.442 168.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 85.0 t90 -78.1 -31.94 50.29 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.547 1.139 . . . . 25.0 112.853 -168.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.95 -18.26 56.24 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.21 0.604 . . . . 25.0 112.427 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -104.02 1.7 31.37 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.452 1.501 . . . . 25.0 112.048 175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 C--O 1.251 1.133 0 CA-C-O 117.808 -1.091 . . . . 25.0 109.73 175.186 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 N--CA 1.476 0.826 0 CA-C-O 120.636 0.255 . . . . 25.0 111.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -73.38 165.06 25.77 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.655 0.782 . . . . 25.0 111.233 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -60.01 -30.57 69.24 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.122 1.369 . . . . 25.0 113.898 -167.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -73.5 -38.65 65.29 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 25.0 112.349 -177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 49.5 tp -80.53 -29.24 37.2 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.574 0.75 . . . . 25.0 110.984 174.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.1 m -68.96 -20.03 64.18 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.08 0.952 . . . . 25.0 112.213 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -70.08 -28.4 65.4 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.13 0.877 . . . . 25.0 111.318 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 84.6 mt -93.69 -28.04 4.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.628 1.571 . . . . 25.0 109.979 -177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -78.74 -28.36 44.91 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.333 1.053 . . . . 25.0 111.615 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 44.5 p -79.33 -30.65 42.83 Favored 'General case' 0 C--N 1.346 0.428 0 CA-C-N 119.008 0.822 . . . . 25.0 110.999 173.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 52.6 ttp180 -68.98 -38.24 79.21 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.411 0.55 . . . . 25.0 109.845 171.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -67.41 -30.72 70.55 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.083 -0.96 . . . . 25.0 110.844 175.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 58.8 m -73.6 -24.01 60.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.899 0.88 . . . . 25.0 112.348 176.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -85.88 -23.4 27.07 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.034 0.934 . . . . 25.0 111.749 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 33.2 mt -88.54 -30.06 5.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 117.7 -1.143 . . . . 25.0 110.858 -177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.57 -20.94 11.48 Favored 'Isoleucine or valine' 0 C--N 1.345 0.408 0 CA-C-N 119.916 1.234 . . . . 25.0 111.327 171.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 40.9 ttpt -77.2 -35.3 55.86 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.598 0.759 . . . . 25.0 109.987 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 31.2 tp -79.8 -24.88 41.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.816 0.846 . . . . 25.0 111.376 176.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -73.37 -40.58 64.25 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 124.145 0.978 . . . . 25.0 109.469 172.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.35 -35.58 80.71 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 124.663 1.185 . . . . 25.0 110.983 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 74.1 m -78.54 -32.68 48.01 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.557 -0.735 . . . . 25.0 111.558 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 59.2 mt -78.56 -25.43 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 C-N-CA 124.317 1.047 . . . . 25.0 110.587 175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -76.07 -36.82 58.82 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.252 1.021 . . . . 25.0 110.485 173.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 58.7 mt-10 -78.87 -21.14 47.95 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.387 1.075 . . . . 25.0 111.772 177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 44.4 tp -78.9 -33.41 45.65 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 123.357 0.663 . . . . 25.0 110.023 169.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -73.4 -30.82 63.52 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.844 0.858 . . . . 25.0 111.586 175.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -65.05 -36.23 83.69 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 118.692 0.678 . . . . 25.0 110.007 170.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 21.0 ttm -81.51 -24.26 36.79 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.296 1.038 . . . . 25.0 112.37 -174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -84.83 -29.87 24.98 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.791 1.236 . . . . 25.0 111.698 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 88.5 mmm -80.5 -28.1 37.55 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.822 0.849 . . . . 25.0 111.271 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -69.67 -43.04 73.32 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 118.68 -0.676 . . . . 25.0 109.609 169.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 17.0 tpt -70.28 -27.36 64.35 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.752 -0.642 . . . . 25.0 112.238 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -83.52 -22.27 32.5 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.217 1.007 . . . . 25.0 112.974 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 15.5 tpt -100.26 -23.09 14.89 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.556 1.142 . . . . 25.0 111.954 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 38.2 mt -74.83 -37.21 62.33 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.064 -0.97 . . . . 25.0 110.345 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.21 -24.49 26.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.073 0.851 . . . . 25.0 111.473 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -75.69 -41.19 54.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.822 0.849 . . . . 25.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 95.5 p -77.16 -23.78 51.59 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.492 1.117 . . . . 25.0 112.287 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -85.88 -13.85 46.65 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.825 1.25 . . . . 25.0 111.445 171.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.35 -21.56 72.64 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.06 0.838 . . . . 25.0 111.314 171.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -79.99 -31.16 39.8 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.314 1.046 . . . . 25.0 110.554 171.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 88.2 mmm -75.06 -31.41 61.25 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.007 0.923 . . . . 25.0 111.746 174.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 43.1 mt -78.3 -32.9 17.12 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.091 0.956 . . . . 25.0 110.189 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -72.42 -29.34 63.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.16 0.984 . . . . 25.0 111.308 174.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 55.5 ttt180 -78.19 -33.98 49.73 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.754 1.622 . . . . 25.0 111.619 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 63.6 mt -71.56 -36.01 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.889 0.876 . . . . 25.0 109.27 172.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -66.29 -33.47 75.82 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.303 1.041 . . . . 25.0 111.63 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -72.2 -40.62 67.71 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.069 0.948 . . . . 25.0 111.138 176.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -72.65 -33.32 66.51 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.837 0.855 . . . . 25.0 111.613 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 48.1 t -80.27 -27.68 11.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.686 1.195 . . . . 25.0 110.6 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -69.87 -33.62 72.5 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.887 0.875 . . . . 25.0 111.486 176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -86.83 -23.22 25.4 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.938 0.895 . . . . 25.0 112.217 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -75.71 -26.7 57.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.615 0.766 . . . . 25.0 111.557 171.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 3.4 t -67.38 -36.76 77.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.994 1.318 . . . . 25.0 109.741 170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -77.39 -34.48 54.9 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.722 0.809 . . . . 25.0 111.905 -177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -64.64 -42.69 95.28 Favored 'General case' 0 C--N 1.346 0.43 0 CA-C-N 118.678 0.672 . . . . 25.0 110.849 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 38.5 t -70.73 -37.04 67.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.88 0.872 . . . . 25.0 110.931 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -69.7 -38.4 76.94 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.102 0.864 . . . . 25.0 110.962 -179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 48.4 mtm180 -72.43 -28.86 63.23 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.11 0.964 . . . . 25.0 112.15 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -73.81 -42.04 61.48 Favored 'General case' 0 C--N 1.342 0.258 0 C-N-CA 123.679 0.792 . . . . 25.0 111.183 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 248' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' C' ' 74' ' ' ALA . 60.4 t -78.66 -25.45 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 124.462 1.105 . . . . 25.0 111.124 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 40.7 m -65.85 -29.63 70.12 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 118.569 -0.729 . . . . 25.0 111.352 171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -86.58 -24.29 25.46 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.084 0.954 . . . . 25.0 112.041 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 96.9 m -75.5 -35.55 60.77 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.776 1.23 . . . . 25.0 110.201 175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -70.5 -40.22 73.67 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.849 1.26 . . . . 25.0 110.701 174.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.13 -28.63 64.43 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.78 0.832 . . . . 25.0 111.791 -175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -66.68 -31.05 71.47 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.456 1.102 . . . . 25.0 111.725 174.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 55.0 t -77.1 -32.13 19.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.522 1.129 . . . . 25.0 110.796 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -72.9 -19.6 61.24 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.741 0.7 . . . . 25.0 112.066 176.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -86.41 -11.05 53.0 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 118.159 -0.924 . . . . 25.0 113.132 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -67.95 148.75 50.66 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-N 119.586 1.085 . . . . 25.0 111.551 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 75.6 m . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.956 1.302 . . . . 25.0 109.043 172.24 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.429 -0.319 . . . . 25.0 110.729 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 57.6 ttp180 -64.31 -40.29 95.63 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.102 0.961 . . . . 25.0 111.944 -168.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -74.07 -27.66 61.02 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.461 0.705 . . . . 25.0 112.423 -175.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -74.6 -34.87 62.95 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.421 0.689 . . . . 25.0 110.839 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 52.0 tp -80.09 -29.52 39.08 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.638 1.175 . . . . 25.0 111.309 177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -73.35 -34.71 65.77 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.488 1.115 . . . . 25.0 110.633 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -77.09 -26.15 53.06 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.237 1.015 . . . . 25.0 111.466 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 29.7 ttp -71.46 -40.45 70.29 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.563 0.745 . . . . 25.0 110.283 173.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -79.45 -18.78 51.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.476 1.11 . . . . 25.0 112.196 178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 43.4 ttm105 -77.39 -36.7 53.22 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.212 1.005 . . . . 25.0 109.989 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -73.13 -34.02 65.86 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.359 1.064 . . . . 25.0 110.873 175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.0 -39.98 83.11 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.505 1.122 . . . . 25.0 111.667 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -78.43 -29.24 46.98 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.857 1.263 . . . . 25.0 111.409 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -72.96 -37.78 66.96 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.241 1.016 . . . . 25.0 110.834 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 73.8 mt -74.44 -19.58 60.35 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.187 -0.911 . . . . 25.0 112.061 177.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.36 -16.86 30.04 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.076 0.95 . . . . 25.0 112.29 173.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -87.35 -27.88 22.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.407 1.083 . . . . 25.0 111.081 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -92.27 -18.32 23.57 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 124.86 1.264 . . . . 25.0 111.921 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 18.3 m -82.38 -21.07 36.01 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.456 0.702 . . . . 25.0 111.174 164.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 63.6 tp -79.92 -35.9 37.14 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.615 0.766 . . . . 25.0 110.133 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -70.18 -30.43 67.56 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.443 1.097 . . . . 25.0 110.692 172.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 40.6 t -70.35 -39.61 74.56 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.241 1.017 . . . . 25.0 111.309 177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 53.1 p -81.17 -18.28 46.85 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.706 0.802 . . . . 25.0 112.467 -178.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -81.02 -25.46 37.16 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.407 1.083 . . . . 25.0 110.892 168.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttp-105 -82.74 -28.23 30.58 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.512 1.125 . . . . 25.0 110.728 173.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 40.4 mtt -64.94 -39.6 93.75 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.364 0.983 . . . . 25.0 109.536 167.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 tp -73.41 -24.77 60.33 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.723 1.209 . . . . 25.0 111.949 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -77.75 -45.57 24.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.133 0.973 . . . . 25.0 110.104 174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 67.9 mt -72.61 -42.13 64.83 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 124.316 1.046 . . . . 25.0 111.812 -173.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -75.77 -24.96 17.07 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.788 0.835 . . . . 25.0 111.945 -175.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -85.39 -24.87 27.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.912 1.285 . . . . 25.0 111.289 177.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -86.27 -16.07 38.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.221 1.008 . . . . 25.0 111.101 171.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 75.6 m -76.98 -26.73 54.25 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.205 1.002 . . . . 25.0 110.877 166.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -76.05 -35.45 59.45 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 123.746 0.819 . . . . 25.0 110.157 174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -69.73 -34.74 74.26 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.911 0.884 . . . . 25.0 111.148 174.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.54 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.503 1.121 . . . . 25.0 111.914 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.28 -32.51 34.78 Favored Glycine 0 C--N 1.341 0.854 0 C-N-CA 124.208 0.909 . . . . 25.0 111.379 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 75.6 mt -71.76 -35.93 56.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.636 1.174 . . . . 25.0 109.196 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 31.5 ttp-105 -69.34 -31.76 70.41 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.515 0.726 . . . . 25.0 111.653 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 87.8 m -68.68 -41.55 79.07 Favored 'General case' 0 C--N 1.344 0.356 0 CA-C-N 118.74 0.7 . . . . 25.0 110.084 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -74.31 -26.43 60.17 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 25.0 112.792 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 41.3 t -80.48 -31.96 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.409 1.084 . . . . 25.0 110.1 175.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.5 -29.07 52.34 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-O 118.041 -0.98 . . . . 25.0 111.831 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 86.7 mt -82.36 -20.99 36.13 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.302 0.955 . . . . 25.0 111.493 174.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -74.56 -38.48 62.69 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.988 0.813 . . . . 25.0 110.446 171.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -72.45 -45.06 61.32 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 124.439 1.096 . . . . 25.0 110.691 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -79.63 -11.94 59.85 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.334 1.053 . . . . 25.0 112.312 -178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -76.61 -26.58 62.78 Favored Glycine 0 CA--C 1.535 1.324 0 CA-C-O 119.237 -0.757 . . . . 25.0 111.245 170.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -84.19 -20.79 31.78 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.848 1.259 . . . . 25.0 111.467 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -84.24 -29.25 26.65 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 123.465 0.706 . . . . 25.0 111.244 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 54.1 mt -72.93 -23.56 60.7 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.85 0.86 . . . . 25.0 110.754 170.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -79.43 -30.9 42.49 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.076 0.95 . . . . 25.0 111.291 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 53.6 ttt85 -78.38 -27.61 46.89 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.077 0.951 . . . . 25.0 111.259 177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.97 -40.59 26.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.814 1.245 . . . . 25.0 110.087 174.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -78.84 -25.94 44.08 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.945 0.898 . . . . 25.0 112.118 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -79.23 -17.92 53.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.496 0.718 . . . . 25.0 110.662 168.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.89 -25.35 60.3 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 118.919 -0.934 . . . . 25.0 111.658 169.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.3 mmt -77.74 -32.57 52.84 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 118.411 1.106 . . . . 25.0 110.288 169.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -79.46 -27.53 41.61 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.783 0.833 . . . . 25.0 111.927 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -69.83 -40.37 75.91 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.964 0.906 . . . . 25.0 109.611 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mt -67.71 -34.77 69.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.636 1.175 . . . . 25.0 110.367 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -72.02 -36.84 69.8 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.887 0.767 . . . . 25.0 110.95 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -71.33 -32.96 69.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.245 1.018 . . . . 25.0 111.891 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -71.9 -45.89 59.67 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.365 0.666 . . . . 25.0 110.607 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 69.0 mmm -84.9 -17.54 37.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 -168.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -78.41 -31.58 48.27 Favored 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.058 0.845 . . . . 25.0 110.575 169.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -73.45 -33.16 64.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.47 0.708 . . . . 25.0 110.634 171.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . 0.413 ' HB2' HG22 ' B' ' 248' ' ' VAL . . . -69.41 -30.4 68.35 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.032 0.933 . . . . 25.0 111.986 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -68.96 -29.81 68.12 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.338 1.055 . . . . 25.0 111.132 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -78.99 -26.39 43.34 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.781 1.232 . . . . 25.0 111.844 177.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -84.25 -35.78 23.16 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.851 0.86 . . . . 25.0 111.525 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 54.7 mt -67.71 -22.53 65.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.029 0.932 . . . . 25.0 111.378 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -76.85 -34.74 57.83 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.769 1.228 . . . . 25.0 111.205 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -76.21 -27.31 56.8 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 118.696 -0.669 . . . . 25.0 111.99 -178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -64.72 128.96 37.96 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 124.05 0.94 . . . . 25.0 109.612 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 80.33 114.6 0.29 Allowed Glycine 0 CA--C 1.528 0.895 0 N-CA-C 108.393 -1.883 . . . . 25.0 108.393 -167.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp . . . . . 0 C--O 1.252 1.234 0 CA-C-O 117.76 -1.114 . . . . 25.0 109.797 -167.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.101 0 N-CA-C 111.717 -0.553 . . . . 25.0 111.717 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.34 21.12 67.87 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 124.029 0.823 . . . . 25.0 113.263 175.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.6 -31.25 68.17 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.683 1.193 . . . . 25.0 113.522 -171.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 36.2 pt -135.87 163.91 33.52 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 C-N-CA 124.803 1.241 . . . . 25.0 110.86 -172.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -74.45 122.68 23.39 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.811 -1.086 . . . . 25.0 108.811 167.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -78.45 139.16 38.73 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.586 1.155 . . . . 25.0 108.541 168.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 5.9 p -170.32 -38.33 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 C-N-CA 124.373 1.069 . . . . 25.0 111.735 -171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 9.2 m -75.29 153.3 38.0 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.136 0.975 . . . . 25.0 110.701 -173.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -60.62 -37.52 81.72 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.732 1.613 . . . . 25.0 113.43 -174.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -88.38 154.64 20.22 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.579 0.752 . . . . 25.0 111.697 -172.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -79.31 0.6 28.25 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.469 1.507 . . . . 25.0 113.784 -178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -72.21 -1.66 15.94 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.309 1.044 . . . . 25.0 113.177 178.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -68.68 -28.13 66.59 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.509 0.724 . . . . 25.0 110.869 171.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -71.24 -29.94 65.73 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.752 0.821 . . . . 25.0 111.252 171.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.55 -33.35 60.66 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.171 0.988 . . . . 25.0 110.934 177.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 38.2 ttm -73.17 -38.34 66.22 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.282 1.433 . . . . 25.0 110.376 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -67.7 -30.65 70.22 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.196 1.799 . . . . 25.0 110.789 176.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.51 -36.72 38.09 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.786 1.234 . . . . 25.0 111.253 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -71.15 -23.79 62.13 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.686 0.675 . . . . 25.0 111.732 174.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 28.0 mt -80.81 -28.79 36.11 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.044 0.937 . . . . 25.0 111.651 172.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.89 -29.93 61.14 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.162 0.985 . . . . 25.0 110.912 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -76.27 -30.24 57.75 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.433 1.093 . . . . 25.0 111.143 173.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.32 -29.32 27.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.402 1.081 . . . . 25.0 110.294 171.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 154' ' ' SER . . . . . 0.416 ' HA ' HG22 ' D' ' 157' ' ' ILE . 22.7 t -76.23 -24.36 54.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.466 1.106 . . . . 25.0 112.179 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -84.43 -14.26 71.5 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.592 -1.116 . . . . 25.0 112.771 176.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 99.3 mt -107.14 -28.73 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-O 117.81 -1.091 . . . . 25.0 110.337 -178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 157' ' ' ILE . . . . . 0.416 HG22 ' HA ' ' D' ' 154' ' ' SER . 10.3 tt -72.2 -33.03 45.23 Favored 'Isoleucine or valine' 0 C--N 1.347 0.468 0 CA-C-N 120.059 1.299 . . . . 25.0 111.234 174.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -73.11 -17.38 78.66 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-O 119.067 -0.852 . . . . 25.0 111.837 176.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -92.34 -33.27 14.66 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.404 1.481 . . . . 25.0 110.798 174.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.2 tp -74.97 -22.4 58.58 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.872 1.669 . . . . 25.0 111.196 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -64.81 -44.28 90.43 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 125.078 1.351 . . . . 25.0 109.972 171.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -76.66 -22.98 53.28 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.229 -0.891 . . . . 25.0 112.193 -178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 57.7 mtt -78.2 -30.51 48.96 Favored 'General case' 0 C--N 1.344 0.343 0 CA-C-N 118.869 0.759 . . . . 25.0 111.369 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -72.11 -34.8 68.89 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.012 0.925 . . . . 25.0 110.792 174.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 83.6 mt -74.9 -28.01 60.46 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.871 0.869 . . . . 25.0 111.722 175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -74.58 -49.63 21.02 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.246 0.618 . . . . 25.0 109.691 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 20.2 ptp -73.03 -21.33 60.82 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-O 118.697 -0.668 . . . . 25.0 112.171 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.76 -25.0 65.84 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-O 119.177 -0.791 . . . . 25.0 111.862 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -80.63 -41.17 24.32 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 124.254 1.022 . . . . 25.0 110.486 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.06 -32.81 67.42 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.746 0.818 . . . . 25.0 112.24 -176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.55 -16.19 8.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.429 0.692 . . . . 25.0 111.308 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.28 -35.96 61.26 Favored 'General case' 0 C--N 1.345 0.391 0 CA-C-N 119.345 0.975 . . . . 25.0 110.077 166.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 66.5 m -71.64 -35.05 70.26 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.216 1.006 . . . . 25.0 110.645 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -85.93 -16.74 37.5 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 118.217 -0.897 . . . . 25.0 112.967 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -79.5 -24.36 42.34 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.182 0.901 . . . . 25.0 110.945 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -91.74 -24.51 19.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.934 1.294 . . . . 25.0 111.651 175.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -81.55 -35.77 29.88 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.058 0.943 . . . . 25.0 110.778 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.34 -26.04 26.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 119.03 0.832 . . . . 25.0 110.543 177.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -77.94 -28.63 49.63 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 25.0 111.562 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -76.14 -32.96 59.39 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.397 1.079 . . . . 25.0 110.584 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 76.3 mt -75.52 -25.85 17.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.021 1.328 . . . . 25.0 109.842 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 9.8 tpt -75.7 -28.89 58.79 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.481 1.113 . . . . 25.0 111.181 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -78.79 -31.5 46.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.471 1.108 . . . . 25.0 111.021 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -76.56 -32.35 58.13 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.183 0.993 . . . . 25.0 111.03 174.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.01 -12.09 59.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.609 1.163 . . . . 25.0 112.106 175.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -92.16 -37.92 12.44 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 123.97 0.908 . . . . 25.0 110.537 173.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 86.1 p -78.91 -26.82 43.75 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-O 117.98 -1.009 . . . . 25.0 112.22 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.2 -27.65 22.87 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.391 1.076 . . . . 25.0 111.487 175.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -64.75 -35.96 82.75 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 118.701 0.682 . . . . 25.0 109.829 168.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 53.8 m -74.02 -33.78 63.9 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.545 1.138 . . . . 25.0 110.968 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 50.3 ttm-85 -71.63 -32.9 68.45 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.015 0.825 . . . . 25.0 111.551 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 83.4 mt -80.95 -37.23 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 125.585 1.554 . . . . 25.0 110.071 177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -72.64 -36.34 67.97 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.813 0.845 . . . . 25.0 111.481 -177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -70.96 -31.6 68.22 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.898 0.879 . . . . 25.0 111.105 175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -77.65 -24.04 49.53 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 112.315 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -78.76 -37.41 41.23 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 124.549 1.14 . . . . 25.0 110.601 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -71.0 -27.79 63.95 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.404 1.081 . . . . 25.0 111.297 174.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -82.57 -29.51 30.23 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.009 1.324 . . . . 25.0 111.341 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.51 59.58 Favored 'General case' 0 C--N 1.343 0.316 0 C-N-CA 123.877 0.871 . . . . 25.0 111.396 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 60.0 p -78.53 -20.49 50.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.098 0.959 . . . . 25.0 112.252 177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -71.18 -29.25 64.95 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.816 0.847 . . . . 25.0 110.615 171.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 77.3 mtm -93.65 -6.38 46.52 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.906 1.282 . . . . 25.0 112.97 176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 34.4 mt -84.07 140.06 32.07 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.35 0.977 . . . . 25.0 110.025 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.149 0 CA-C-O 117.672 -1.626 . . . . 25.0 110.42 177.427 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 81.2 -129.78 9.27 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.708 -0.957 . . . . 25.0 110.708 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 110.76 176.21 20.54 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 125.008 1.289 . . . . 25.0 112.427 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -83.55 -177.78 51.81 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.607 1.099 . . . . 25.0 113.161 -175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -88.69 -165.31 41.16 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.84 1.21 . . . . 25.0 112.582 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . 79.18 21.1 68.34 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.054 0.835 . . . . 25.0 112.636 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 50.2 pt -78.35 9.73 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.226 1.41 . . . . 25.0 114.018 -168.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 50.7 tp -148.14 -34.62 0.22 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.541 1.136 . . . . 25.0 110.955 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -161.98 137.89 7.69 Favored 'General case' 0 C--N 1.344 0.354 0 C-N-CA 125.011 1.324 . . . . 25.0 108.948 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -87.67 163.54 16.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.132 0.973 . . . . 25.0 111.455 -177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 20.6 tp -73.5 -9.91 59.17 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.024 0.93 . . . . 25.0 111.208 165.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 168.58 151.41 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.117 1.342 . . . . 25.0 111.772 171.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -133.84 176.6 8.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.629 1.572 . . . . 25.0 109.051 169.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 19.8 tt -155.2 134.08 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.373 1.069 . . . . 25.0 109.915 176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 5.8 t -99.61 147.14 25.68 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.958 1.303 . . . . 25.0 109.253 174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -161.16 175.16 12.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.058 0.943 . . . . 25.0 111.568 -168.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 64.4 p -144.46 160.56 40.88 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.138 1.375 . . . . 25.0 110.086 161.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 11.9 mt -138.3 138.67 38.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.285 1.434 . . . . 25.0 109.623 -174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -157.29 155.31 30.5 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.372 1.469 . . . . 25.0 109.143 -167.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -146.54 157.24 43.7 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.909 0.883 . . . . 25.0 111.052 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 29.0 t -136.71 127.79 16.57 Favored Pre-proline 0 CA--C 1.54 0.573 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -70.81 -30.04 17.97 Favored 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.872 2.381 . . . . 25.0 112.383 -178.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 76.5 m -79.13 121.63 25.24 Favored 'General case' 0 C--N 1.343 0.307 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 172.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . 69.78 -5.05 1.29 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.278 2.231 . . . . 25.0 113.523 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 71.94 31.86 64.08 Favored Glycine 0 CA--C 1.53 1.027 0 CA-C-O 117.949 -1.473 . . . . 25.0 113.394 173.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -76.89 89.59 3.49 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.192 1.496 . . . . 25.0 111.979 -169.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 23.0 tp -78.96 104.78 9.84 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.981 2.112 . . . . 25.0 107.593 168.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 36.4 m -102.37 138.72 38.92 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 123.63 0.772 . . . . 25.0 109.061 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 5.6 t -138.83 105.13 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 107.527 -1.286 . . . . 25.0 107.527 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 5.3 t -88.72 150.61 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 173.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 12.7 mt -120.44 107.12 20.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 105.099 -2.186 . . . . 25.0 105.099 175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.21 -39.23 55.17 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.829 -0.605 . . . . 25.0 111.54 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 179.74 -170.71 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 126.901 2.08 . . . . 25.0 110.039 -174.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -157.92 173.42 16.81 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.496 1.918 . . . . 25.0 109.545 173.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -160.89 155.45 23.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.911 0.884 . . . . 25.0 113.034 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 27.9 m120 61.71 31.11 18.62 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.794 2.037 . . . . 25.0 113.279 168.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 99.1 mt -70.51 161.06 31.3 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.638 1.175 . . . . 25.0 113.705 -165.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 300' ' ' LYS . . . . . 0.444 ' H ' HG23 ' E' ' 373' ' ' ILE . 87.2 tttt -76.63 147.34 37.61 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.407 1.883 . . . . 25.0 112.081 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -81.3 123.66 28.7 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.868 1.267 . . . . 25.0 109.27 172.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 81.4 mmm -116.76 -4.16 11.65 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.65 1.18 . . . . 25.0 112.309 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -156.39 147.25 21.95 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.41 1.484 . . . . 25.0 109.197 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.06 -34.99 73.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 124.02 0.928 . . . . 25.0 110.931 -177.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . -93.15 -10.17 59.91 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 118.081 -1.399 . . . . 25.0 114.439 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -121.7 136.45 11.05 Favored Glycine 0 C--N 1.345 1.068 0 CA-C-N 119.088 1.444 . . . . 25.0 111.726 -177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 33.0 tp -156.23 74.52 0.84 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.802 0.841 . . . . 25.0 109.918 175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 308' ' ' SER . . . . . 0.453 ' H ' ' H ' ' E' ' 334' ' ' THR . 85.1 p -147.45 173.05 13.02 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.554 2.741 . . . . 25.0 109.41 -4.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -116.63 60.52 2.23 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.186 0.995 . . . . 25.0 110.454 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.06 158.13 46.0 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 123.008 2.472 . . . . 25.0 113.435 -166.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -159.69 127.17 4.7 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.816 1.646 . . . . 25.0 108.523 167.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 11.4 t -89.66 147.41 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 125.034 1.334 . . . . 25.0 109.598 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -121.94 152.41 39.69 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.784 2.034 . . . . 25.0 109.738 169.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 29.2 mt -120.78 136.56 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 N-CA-C 106.947 -1.501 . . . . 25.0 106.947 166.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -125.19 119.29 28.11 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.741 1.216 . . . . 25.0 108.635 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.02 141.02 32.37 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 168.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 34.6 mtt -143.29 178.01 8.03 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.072 1.349 . . . . 25.0 109.878 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -159.77 111.66 2.05 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 106.368 -1.715 . . . . 25.0 106.368 175.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 57.0 -137.27 1.02 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 108.165 -1.05 . . . . 25.0 108.165 -156.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . -83.45 -9.59 83.26 Favored Glycine 0 CA--C 1.535 1.338 0 CA-C-O 118.332 -1.26 . . . . 25.0 113.548 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.86 132.25 37.9 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.05 1.425 . . . . 25.0 110.743 -176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 10.5 mpt_? -78.97 138.09 37.89 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.354 1.062 . . . . 25.0 109.325 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 58.2 mt -111.91 -63.11 1.46 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.532 1.133 . . . . 25.0 110.515 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -134.45 173.78 11.26 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.715 1.206 . . . . 25.0 110.993 -174.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -157.32 148.28 21.55 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.479 1.512 . . . . 25.0 110.83 -174.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -147.21 168.31 22.0 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.023 2.129 . . . . 25.0 109.262 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -166.41 148.18 6.6 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.017 0.927 . . . . 25.0 113.069 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 72.3 p -88.55 179.7 6.23 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 126.103 1.761 . . . . 25.0 110.86 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 81.0 p -73.17 153.5 40.69 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.279 1.031 . . . . 25.0 110.462 168.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 48.0 pt -77.93 152.81 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.15 0.98 . . . . 25.0 110.548 174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -126.21 167.93 14.76 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.893 1.277 . . . . 25.0 110.268 -173.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.83 125.04 39.02 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.487 1.115 . . . . 25.0 109.619 -171.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 24.52 86.21 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 129.271 3.028 . . . . 25.0 114.126 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 334' ' ' THR . . . . . 0.453 ' H ' ' H ' ' E' ' 308' ' ' SER . 12.4 t -163.5 139.98 6.99 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.684 1.194 . . . . 25.0 110.275 -170.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.56 -31.57 13.84 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.461 1.104 . . . . 25.0 110.444 169.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -113.01 80.05 3.81 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 125.963 1.705 . . . . 25.0 109.077 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -76.7 143.4 23.84 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 123.051 2.501 . . . . 25.0 110.838 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -83.5 153.89 24.17 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.206 1.002 . . . . 25.0 109.067 164.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -143.52 -81.2 0.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.871 0.869 . . . . 25.0 109.039 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 37.9 t30 64.53 17.48 10.87 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 127.251 2.221 . . . . 25.0 112.994 -171.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -83.47 129.24 34.97 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 124.863 1.265 . . . . 25.0 110.8 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 90.3 p -92.88 151.65 19.85 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.56 1.544 . . . . 25.0 111.702 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -150.4 111.3 4.32 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.448 1.099 . . . . 25.0 110.136 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 73.8 m -93.79 157.99 15.88 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.361 1.065 . . . . 25.0 111.35 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -146.42 113.91 6.34 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 126.046 1.738 . . . . 25.0 107.278 177.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -104.7 127.19 52.39 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.413 0.685 . . . . 25.0 109.241 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 21.2 m -131.6 168.0 19.43 Favored Pre-proline 0 CA--C 1.543 0.676 0 C-N-CA 126.02 1.728 . . . . 25.0 109.565 -175.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo -53.45 151.32 24.08 Favored 'Trans proline' 0 CA--C 1.539 0.751 0 C-N-CA 123.205 2.603 . . . . 25.0 112.167 168.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -66.21 -17.81 64.96 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.688 1.366 . . . . 25.0 114.688 -156.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -123.68 0.27 8.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.745 1.218 . . . . 25.0 112.138 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -73.27 -5.24 38.23 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.235 1.014 . . . . 25.0 112.92 -176.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.38 -24.03 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-N 119.542 1.064 . . . . 25.0 112.077 173.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -66.79 -19.84 65.83 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.893 1.277 . . . . 25.0 112.781 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -109.57 -39.66 5.09 Favored 'General case' 0 C--N 1.345 0.41 0 C-N-CA 124.447 1.099 . . . . 25.0 112.568 -175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 21.3 m -71.53 161.94 4.51 Favored 'Isoleucine or valine' 0 C--N 1.346 0.449 0 CA-C-N 118.704 0.684 . . . . 25.0 111.208 -176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -161.75 137.03 7.43 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.517 1.527 . . . . 25.0 109.512 -174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 44.1 t -100.14 151.65 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 125.23 1.412 . . . . 25.0 110.709 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 41.5 t -131.11 118.23 40.25 Favored 'Isoleucine or valine' 0 C--N 1.339 0.151 0 C-N-CA 125.617 1.567 . . . . 25.0 106.787 168.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.15 145.12 7.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 107.734 -1.209 . . . . 25.0 107.734 170.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 54.9 m -146.68 130.98 17.52 Favored 'General case' 0 C--O 1.224 -0.259 0 C-N-CA 125.404 1.482 . . . . 25.0 108.36 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 18.7 t -101.44 138.9 24.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 107.436 -1.32 . . . . 25.0 107.436 169.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 96.9 mt -128.19 156.45 42.89 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 125.583 1.553 . . . . 25.0 109.549 178.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -93.7 142.38 27.42 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 108.975 -0.75 . . . . 25.0 108.975 164.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -79.35 106.15 11.18 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.829 0.852 . . . . 25.0 109.7 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -98.14 127.84 44.3 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 106.049 -1.834 . . . . 25.0 106.049 163.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -62.02 -36.95 83.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.641 0.777 . . . . 25.0 112.955 -165.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 33.8 pt -145.04 -12.4 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.926 1.29 . . . . 25.0 111.481 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . -82.07 -178.56 52.46 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.229 0.918 . . . . 25.0 111.859 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -71.25 133.4 46.06 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.387 1.075 . . . . 25.0 110.397 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -85.31 157.78 20.47 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.335 1.054 . . . . 25.0 109.403 171.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -151.12 155.53 39.13 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.802 0.841 . . . . 25.0 110.338 178.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -68.61 118.75 12.02 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.868 0.867 . . . . 25.0 111.763 -171.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 373' ' ' ILE . . . . . 0.444 HG23 ' H ' ' E' ' 300' ' ' LYS . 15.1 mt -65.75 -34.62 71.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.764 1.226 . . . . 25.0 109.045 158.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 163.29 143.99 3.88 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.537 1.065 . . . . 25.0 111.453 172.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.38 172.85 6.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.17 1.388 . . . . 25.0 111.092 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.02 135.73 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.834 1.254 . . . . 25.0 109.214 173.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -85.11 146.51 27.11 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.3 1.04 . . . . 25.0 111.015 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 55.2 t -134.8 134.69 53.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.562 1.945 . . . . 25.0 107.125 173.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 379' ' ' GLY . . . . . . . . . . . . . . . 152.24 -166.3 31.05 Favored Glycine 0 C--N 1.34 0.78 0 CA-C-O 121.326 0.403 . . . . 25.0 113.073 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -85.19 -17.9 35.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.299 1.039 . . . . 25.0 112.735 -177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 49.1 m-20 -75.04 -2.21 26.32 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.632 0.773 . . . . 25.0 112.01 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 63.3 m -69.56 173.78 5.66 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.647 1.579 . . . . 25.0 111.426 170.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 74.7 p -139.89 152.75 46.68 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.876 1.27 . . . . 25.0 110.696 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.44 -124.87 9.05 Favored Glycine 0 C--N 1.343 0.925 0 C-N-CA 123.955 0.788 . . . . 25.0 111.258 170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.88 -31.06 68.68 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.736 0.814 . . . . 25.0 111.962 177.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -76.54 -21.25 55.96 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.055 0.942 . . . . 25.0 111.865 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 56.5 tp -71.82 -35.37 69.89 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.348 0.659 . . . . 25.0 110.349 169.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 37.3 ttp-105 -76.02 -29.05 57.96 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.242 1.017 . . . . 25.0 111.692 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -69.13 -16.18 63.59 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.024 0.829 . . . . 25.0 112.045 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 390' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -97.7 -55.29 2.85 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.761 1.224 . . . . 25.0 110.195 171.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 70.3 m -71.86 -31.56 66.59 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.572 0.952 . . . . 25.0 113.572 -166.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -78.89 -25.2 43.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.342 0.657 . . . . 25.0 111.309 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.2 tmm? -77.26 -29.25 53.87 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.702 1.201 . . . . 25.0 111.225 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 7.8 mp -69.84 -38.7 76.58 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.201 1.0 . . . . 25.0 110.175 168.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -82.38 -15.16 53.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.589 1.156 . . . . 25.0 113.544 -174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -132.33 81.33 60.98 Favored Pre-proline 0 CA--C 1.537 0.466 0 C-N-CA 125.053 1.341 . . . . 25.0 107.818 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.77 148.11 45.87 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 123.354 2.703 . . . . 25.0 111.203 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 79.72 -21.13 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.277 3.031 . . . . 25.0 112.256 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 79.9 ttt-85 -83.18 124.9 75.77 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 171.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -79.07 166.89 22.52 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 123.232 2.622 . . . . 25.0 111.688 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 20.3 tt -142.54 112.72 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 169.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -115.28 146.24 41.68 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 125.021 1.328 . . . . 25.0 110.806 -171.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -168.64 169.44 10.19 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.069 0.948 . . . . 25.0 111.495 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -95.78 141.41 29.28 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.088 1.355 . . . . 25.0 109.392 161.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -134.17 144.91 48.78 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 125.529 1.532 . . . . 25.0 109.547 171.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 68.4 m -81.8 140.11 34.4 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.762 1.225 . . . . 25.0 109.662 177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.61 167.15 20.41 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.713 1.205 . . . . 25.0 111.726 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -141.85 178.0 7.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.453 1.901 . . . . 25.0 109.94 -166.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.3 168.6 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.481 0 C-N-CA 123.832 0.853 . . . . 25.0 110.696 170.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.71 -22.25 59.97 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.635 1.174 . . . . 25.0 112.713 -174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -84.03 -17.58 39.91 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.748 1.219 . . . . 25.0 111.819 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -93.96 5.74 50.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.301 1.44 . . . . 25.0 112.208 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 69.6 t -132.88 -30.56 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.967 1.307 . . . . 25.0 110.532 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -75.61 -25.81 57.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.574 0.75 . . . . 25.0 111.163 171.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -74.75 -20.4 59.84 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.547 1.139 . . . . 25.0 112.414 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 94.4 mmm -80.7 -3.46 50.8 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.803 1.241 . . . . 25.0 112.771 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 82.3 mt -93.03 -17.45 23.86 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.374 1.47 . . . . 25.0 112.318 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.343 0.312 0 C-N-CA 124.175 0.99 . . . . 25.0 112.654 -168.856 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.474 0.726 0 CA-C-O 120.729 0.3 . . . . 25.0 110.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.55 136.39 39.28 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.143 0.977 . . . . 25.0 108.947 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 73.3 p -74.33 138.72 43.68 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.444 0.698 . . . . 25.0 109.676 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.2 p -165.88 167.17 17.02 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.132 0.973 . . . . 25.0 111.375 -170.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -72.45 2.11 6.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.561 1.544 . . . . 25.0 112.718 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -54.4 -42.17 70.11 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 126.351 1.861 . . . . 25.0 113.058 -174.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -81.56 -28.58 33.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 118.318 -0.849 . . . . 25.0 112.353 -176.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 38.9 tp -73.54 -27.01 61.11 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.019 0.827 . . . . 25.0 111.129 173.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -76.97 -35.52 57.14 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.415 1.486 . . . . 25.0 110.806 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -79.21 -19.83 49.81 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.886 0.875 . . . . 25.0 112.353 176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.8 m -87.58 -23.8 24.2 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.329 1.052 . . . . 25.0 110.575 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -69.91 -31.15 68.78 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.526 0.731 . . . . 25.0 110.285 166.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.64 -24.3 33.86 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.655 1.182 . . . . 25.0 112.561 176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -78.72 -36.33 43.55 Favored 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.013 0.925 . . . . 25.0 110.313 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.5 t -71.52 -30.83 40.51 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 CA-C-O 117.912 -1.042 . . . . 25.0 110.03 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -67.68 -28.31 67.58 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.443 1.02 . . . . 25.0 111.751 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -80.46 -34.75 35.7 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.461 1.105 . . . . 25.0 111.468 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.4 t -80.46 -24.25 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 124.424 1.089 . . . . 25.0 110.807 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.4 -35.16 69.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 124.748 1.219 . . . . 25.0 109.659 168.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -73.52 -31.05 63.49 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.884 0.765 . . . . 25.0 111.866 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -68.41 -40.33 82.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 123.629 0.772 . . . . 25.0 109.329 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.1 mmm -76.96 -19.88 56.8 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 124.122 0.969 . . . . 25.0 113.223 -179.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -81.2 -27.85 35.15 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.288 0.949 . . . . 25.0 111.1 174.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.3 t -77.12 -30.68 17.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.334 1.054 . . . . 25.0 110.026 171.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -78.11 -28.73 48.62 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 118.254 -0.879 . . . . 25.0 111.475 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.61 -37.06 48.94 Favored 'Isoleucine or valine' 0 C--N 1.345 0.38 0 CA-C-N 119.097 0.862 . . . . 25.0 109.67 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -66.95 -31.51 72.13 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.373 0.669 . . . . 25.0 111.541 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 tppt? -87.78 -24.18 23.85 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.567 1.147 . . . . 25.0 111.872 -178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.04 -29.76 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 124.03 0.932 . . . . 25.0 110.37 173.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.69 -15.73 57.01 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.522 0.729 . . . . 25.0 111.271 170.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -80.63 -33.41 35.78 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 123.503 0.721 . . . . 25.0 110.359 168.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -66.97 -27.89 67.82 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.398 -0.81 . . . . 25.0 110.952 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -69.66 -35.18 74.94 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.86 0.755 . . . . 25.0 111.836 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -84.54 -22.43 30.14 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.753 0.821 . . . . 25.0 112.727 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -78.97 -28.07 43.55 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.979 0.809 . . . . 25.0 111.256 172.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.4 mt -87.74 -20.96 25.47 Favored 'General case' 0 C--N 1.344 0.333 0 C-N-CA 124.547 1.139 . . . . 25.0 111.748 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.5 p -75.54 -26.45 58.04 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 119.464 1.029 . . . . 25.0 110.908 170.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -81.1 -37.63 28.61 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.205 1.002 . . . . 25.0 110.751 172.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.4 tp -78.86 -27.78 44.13 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.226 0.921 . . . . 25.0 111.929 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.65 -25.8 57.15 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.383 0.992 . . . . 25.0 110.939 173.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -80.8 -32.36 35.33 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.599 1.16 . . . . 25.0 111.59 173.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -84.67 -22.16 29.94 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.909 1.284 . . . . 25.0 111.836 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.56 -25.7 30.72 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 124.73 1.212 . . . . 25.0 111.139 173.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -79.6 -30.28 41.46 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.397 1.079 . . . . 25.0 110.852 172.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -83.16 -23.22 33.02 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.603 1.161 . . . . 25.0 112.072 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 67.1 tp -79.09 -36.16 41.2 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.604 1.162 . . . . 25.0 110.08 172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -71.57 -29.87 65.21 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.472 1.109 . . . . 25.0 110.992 174.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.77 -35.66 60.07 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.919 0.888 . . . . 25.0 111.499 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.13 -21.4 73.67 Favored Glycine 0 CA--C 1.534 1.272 0 CA-C-O 119.187 -0.785 . . . . 25.0 112.031 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -84.62 -38.34 20.0 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 124.918 1.287 . . . . 25.0 111.629 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 93.9 p -71.92 -29.6 64.49 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.767 0.827 . . . . 25.0 111.722 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.32 -31.91 58.41 Favored 'General case' 0 C--N 1.345 0.4 0 CA-C-O 118.384 -0.817 . . . . 25.0 111.051 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -73.98 -25.86 60.15 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.422 0.689 . . . . 25.0 111.397 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.54 -34.24 58.54 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.542 1.137 . . . . 25.0 110.717 174.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 79.8 m -72.23 -35.94 68.99 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.262 1.025 . . . . 25.0 110.598 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.2 m -73.58 -37.54 65.45 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 123.971 0.908 . . . . 25.0 111.212 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.39 61.5 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.731 0.812 . . . . 25.0 112.306 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.54 -27.19 62.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.045 0.938 . . . . 25.0 111.553 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -91.63 -20.0 22.09 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.605 1.162 . . . . 25.0 112.089 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 mt -75.41 -34.22 61.03 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.154 0.982 . . . . 25.0 109.827 167.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -71.36 -29.24 64.73 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.698 0.799 . . . . 25.0 110.572 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.6 tpt85 -74.78 -24.85 58.74 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.669 0.787 . . . . 25.0 111.634 174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -85.08 -39.73 17.61 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.645 1.178 . . . . 25.0 111.893 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.48 -40.77 3.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 -163.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -93.29 -26.18 17.43 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 113.233 0.827 . . . . 25.0 113.233 -174.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -69.72 -32.03 70.37 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.528 1.307 . . . . 25.0 114.528 -161.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -80.18 -17.59 51.99 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.222 0.609 . . . . 25.0 112.334 -176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -68.36 139.6 55.85 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 124.259 1.023 . . . . 25.0 110.803 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.7 tp . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.54 1.136 . . . . 25.0 109.999 -178.273 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 120.606 0.241 . . . . 25.0 110.894 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -93.07 1.77 57.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.647 1.179 . . . . 25.0 113.539 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -63.61 -37.28 86.72 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.367 0.985 . . . . 25.0 112.649 -172.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -77.5 -25.39 50.31 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.817 0.847 . . . . 25.0 112.501 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 54.8 tp -80.99 -29.48 35.22 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.838 0.855 . . . . 25.0 110.811 172.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 62.2 m -70.31 -18.36 63.1 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.191 0.996 . . . . 25.0 111.725 175.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -77.78 -32.95 52.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.573 1.149 . . . . 25.0 110.98 173.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 74.5 mt -74.95 -33.62 30.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.675 1.19 . . . . 25.0 109.344 174.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.49 -32.83 70.49 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.385 1.074 . . . . 25.0 111.479 176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 23.0 m -72.52 -38.63 68.0 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.563 0.745 . . . . 25.0 110.487 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -68.23 -36.24 79.19 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.092 0.957 . . . . 25.0 111.101 178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -67.45 -34.77 77.88 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.486 1.115 . . . . 25.0 111.101 171.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 33.2 m -73.56 -12.49 60.78 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 117.951 -1.023 . . . . 25.0 113.104 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -79.62 -23.53 42.55 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.554 1.07 . . . . 25.0 111.604 170.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 87.1 mt -88.79 -38.66 11.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.038 1.335 . . . . 25.0 109.968 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 22.6 pt -80.97 -10.91 12.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.464 0.706 . . . . 25.0 112.348 173.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -88.19 -31.08 19.29 Favored 'General case' 0 C--N 1.346 0.422 0 C-N-CA 124.5 1.12 . . . . 25.0 110.886 171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.67 -32.19 72.69 Favored 'General case' 0 C--N 1.345 0.406 0 N-CA-C 109.455 -0.572 . . . . 25.0 109.455 166.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -71.98 -30.27 65.08 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-O 118.382 -0.818 . . . . 25.0 111.159 176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -69.02 -24.06 64.15 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.032 0.833 . . . . 25.0 111.847 178.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 89.7 p -100.19 -18.96 16.65 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.662 1.185 . . . . 25.0 113.277 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 26.9 mt -88.17 -27.7 5.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.634 1.173 . . . . 25.0 110.368 174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -76.79 -33.75 58.01 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.952 1.301 . . . . 25.0 110.57 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -73.53 -33.44 64.73 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.718 0.807 . . . . 25.0 110.624 173.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 61.9 tp -71.16 -38.73 72.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.174 0.99 . . . . 25.0 110.887 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 43.8 t-80 -72.66 -33.6 66.66 Favored 'General case' 0 C--N 1.343 0.312 0 C-N-CA 123.637 0.775 . . . . 25.0 111.674 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -73.05 -20.01 61.07 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.457 0.703 . . . . 25.0 111.25 174.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 42.7 ttm -86.26 -26.36 25.03 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.02 1.328 . . . . 25.0 111.186 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.15 -26.95 42.72 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 124.841 1.256 . . . . 25.0 111.725 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 42.9 ttp -87.95 -27.69 21.95 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.411 1.484 . . . . 25.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -75.48 -29.73 59.68 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.955 0.902 . . . . 25.0 110.627 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 57.8 ttm -76.76 -28.2 55.62 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.816 0.846 . . . . 25.0 111.347 174.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -69.4 -24.3 63.83 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.39 0.676 . . . . 25.0 111.462 173.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 17.2 tmm? -84.13 -43.59 14.86 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.494 1.118 . . . . 25.0 110.347 173.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.4 -44.72 78.15 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.881 0.872 . . . . 25.0 112.143 -173.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 98.4 t -74.61 -26.49 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 123.847 0.859 . . . . 25.0 110.697 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -79.35 -34.33 42.2 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.46 1.104 . . . . 25.0 111.874 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 70.3 m -82.19 -22.83 35.79 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.776 1.231 . . . . 25.0 111.798 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -82.87 -12.11 57.67 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.739 1.216 . . . . 25.0 110.662 165.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.48 -19.1 69.5 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 124.756 1.17 . . . . 25.0 111.861 170.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -72.08 -34.58 68.8 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.286 1.043 . . . . 25.0 109.985 168.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 61.1 mtp -70.6 -43.55 69.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 123.985 0.914 . . . . 25.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 78.7 mt -69.43 -34.37 61.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 124.645 1.178 . . . . 25.0 110.977 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -73.07 -31.14 64.19 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.503 0.721 . . . . 25.0 111.57 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 42.3 ttm105 -78.28 -33.42 49.49 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.468 1.107 . . . . 25.0 111.135 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 43.0 mt -70.01 -40.33 78.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 124.372 1.069 . . . . 25.0 108.911 173.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -71.02 -27.7 63.87 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.867 0.867 . . . . 25.0 111.718 -178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -83.98 -31.55 25.46 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.646 0.778 . . . . 25.0 111.981 176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -81.25 -27.54 35.13 Favored 'General case' 0 C--N 1.345 0.383 0 C-N-CA 123.757 0.823 . . . . 25.0 112.071 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 64.4 t -85.98 -25.05 6.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.579 1.152 . . . . 25.0 110.047 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.41 -34.58 76.27 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.972 0.806 . . . . 25.0 110.564 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -82.09 -24.96 34.91 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 117.922 -1.037 . . . . 25.0 112.066 175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -78.51 -28.82 46.32 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-N 119.382 0.992 . . . . 25.0 111.637 175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 9.9 t -71.65 -35.44 55.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.561 1.144 . . . . 25.0 109.631 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -74.08 -36.06 64.27 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.87 0.868 . . . . 25.0 111.35 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -66.42 -42.53 87.6 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 123.676 0.791 . . . . 25.0 110.876 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 40.3 t -72.85 -39.45 59.02 Favored 'Isoleucine or valine' 0 C--N 1.345 0.391 0 C-N-CA 123.835 0.854 . . . . 25.0 111.3 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -66.22 -41.56 89.93 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 118.867 0.758 . . . . 25.0 110.708 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 44.3 mtm105 -78.95 -25.15 43.57 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.25 1.02 . . . . 25.0 112.098 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -71.14 -39.38 72.02 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 123.33 0.652 . . . . 25.0 110.855 175.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 53.1 t -74.12 -26.15 20.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 123.806 0.842 . . . . 25.0 110.832 179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 249' ' ' SER . . . . . 0.408 ' HA ' ' HE2' ' B' ' 252' ' ' LYS . 70.0 m -74.41 -34.07 63.17 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 123.861 0.864 . . . . 25.0 112.085 176.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -89.52 -14.31 35.46 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.99 0.916 . . . . 25.0 112.129 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 13.0 m -80.95 -46.13 15.62 Favored 'General case' 0 C--N 1.345 0.406 0 C-N-CA 124.298 1.039 . . . . 25.0 109.611 172.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 252' ' ' LYS . . . . . 0.408 ' HE2' ' HA ' ' B' ' 249' ' ' SER . 58.4 pttt -72.7 -21.94 60.97 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 118.968 0.804 . . . . 25.0 112.226 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -74.7 -36.03 62.73 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.198 0.999 . . . . 25.0 111.085 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -73.16 -19.34 61.14 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.72 0.808 . . . . 25.0 112.8 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 46.4 t -88.68 -22.77 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 125.407 1.483 . . . . 25.0 110.959 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -75.35 -11.58 60.08 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.409 1.083 . . . . 25.0 112.63 173.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -135.39 33.9 3.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.409 1.484 . . . . 25.0 110.277 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -61.11 -6.77 2.15 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.259 1.823 . . . . 25.0 115.166 -175.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.27 1.428 . . . . 25.0 108.949 174.395 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 11.4 tpt . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 118.606 -0.711 . . . . 25.0 112.065 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -58.96 -40.47 84.84 Favored 'General case' 0 C--N 1.345 0.394 0 CA-C-O 117.943 -1.027 . . . . 25.0 112.669 -170.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -72.85 -31.75 64.96 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.324 0.966 . . . . 25.0 111.92 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -67.22 -43.33 82.27 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 118.53 0.605 . . . . 25.0 110.338 174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 42.7 tp -71.47 -33.25 69.13 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.002 0.921 . . . . 25.0 111.607 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -68.92 -38.66 79.67 Favored 'General case' 0 C--N 1.342 0.252 0 C-N-CA 124.34 1.056 . . . . 25.0 110.761 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -73.92 -23.79 59.59 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.676 0.791 . . . . 25.0 112.06 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 72.2 mtm -84.34 -24.66 29.67 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.632 0.773 . . . . 25.0 111.934 174.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -83.3 -33.37 25.97 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.039 1.336 . . . . 25.0 111.228 176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 54.3 mtt180 -72.28 -32.35 66.54 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.582 1.153 . . . . 25.0 110.764 174.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -78.08 -32.41 50.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.684 0.794 . . . . 25.0 110.88 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.0 66.96 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.286 0.948 . . . . 25.0 111.821 175.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -75.41 -34.55 61.04 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.637 1.175 . . . . 25.0 111.011 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -71.18 -35.32 71.56 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.794 1.238 . . . . 25.0 111.167 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.8 -29.47 50.79 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.254 1.022 . . . . 25.0 111.56 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.3 -24.33 54.38 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.821 0.848 . . . . 25.0 111.928 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.38 -38.9 18.21 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 124.297 1.039 . . . . 25.0 111.234 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -84.17 -14.76 49.3 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.802 0.841 . . . . 25.0 112.492 -176.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 30.5 m -79.12 -38.16 36.8 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 118.782 0.719 . . . . 25.0 110.264 165.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.1 -37.69 64.09 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.45 0.7 . . . . 25.0 111.326 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -76.15 -21.41 56.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.363 -0.827 . . . . 25.0 111.208 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 44.3 t -75.48 -34.71 60.91 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.224 -0.893 . . . . 25.0 111.371 173.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 66.6 p -77.7 -19.19 55.69 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.103 0.865 . . . . 25.0 112.472 177.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -87.72 -26.76 22.78 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.742 1.217 . . . . 25.0 111.311 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -78.92 -36.0 42.55 Favored 'General case' 0 C--N 1.343 0.293 0 CA-C-O 118.232 -0.89 . . . . 25.0 110.457 170.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 65.6 mtm -66.41 -28.13 68.39 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.17 0.896 . . . . 25.0 111.248 172.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -75.53 -24.0 56.7 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.044 0.938 . . . . 25.0 111.603 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -81.56 -41.53 21.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.506 0.722 . . . . 25.0 110.651 171.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 54.1 mt -67.95 -45.65 73.66 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.312 1.045 . . . . 25.0 111.2 -174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 1.8 p -81.66 -20.55 10.64 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 123.805 0.842 . . . . 25.0 112.595 -173.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -87.2 -22.4 25.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.647 1.179 . . . . 25.0 111.274 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -92.6 -6.27 49.84 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.217 1.007 . . . . 25.0 111.822 169.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 53.6 m -77.74 -29.78 51.3 Favored 'General case' 0 C--N 1.345 0.391 0 C-N-CA 123.804 0.842 . . . . 25.0 110.122 162.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.67 -36.16 60.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.49 1.116 . . . . 25.0 110.375 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.94 -33.37 63.9 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.821 0.737 . . . . 25.0 111.544 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.89 -18.75 46.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.402 1.081 . . . . 25.0 111.937 173.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.63 -28.84 41.5 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.434 1.016 . . . . 25.0 111.244 173.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 55.4 mt -73.17 -37.87 53.47 Favored 'Isoleucine or valine' 0 C--N 1.344 0.367 0 C-N-CA 124.713 1.205 . . . . 25.0 109.114 170.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -70.34 -32.14 69.73 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.657 0.662 . . . . 25.0 111.515 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 52.8 m -75.82 -35.59 59.95 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.524 -0.75 . . . . 25.0 110.714 174.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 19.4 mt -68.33 -33.73 74.82 Favored 'General case' 0 C--N 1.345 0.405 0 CA-C-N 118.951 0.796 . . . . 25.0 111.968 176.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 38.6 t -80.87 -29.31 11.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 C-N-CA 124.678 1.191 . . . . 25.0 110.423 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 53.1 mtm -67.53 -38.43 84.22 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 117.871 -1.061 . . . . 25.0 110.544 171.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 48.4 mt -73.81 -25.94 60.37 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.27 0.941 . . . . 25.0 111.595 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -74.04 -15.89 61.07 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.997 0.919 . . . . 25.0 112.064 178.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -115.2 -27.68 7.19 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.104 1.362 . . . . 25.0 112.052 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -79.59 -25.74 41.45 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.563 1.145 . . . . 25.0 111.154 176.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -72.79 -18.19 78.7 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 118.815 -0.992 . . . . 25.0 111.957 173.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -89.88 -26.98 20.19 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.164 1.386 . . . . 25.0 111.225 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -72.52 -37.6 68.29 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 123.637 0.775 . . . . 25.0 110.089 170.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 57.0 mt -73.48 -22.99 60.01 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.786 1.234 . . . . 25.0 111.491 175.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -76.36 -33.19 58.95 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.799 0.727 . . . . 25.0 111.085 173.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -74.61 -26.7 60.08 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 123.604 0.762 . . . . 25.0 111.764 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.51 -45.99 49.97 Favored 'Isoleucine or valine' 0 C--N 1.343 0.321 0 C-N-CA 123.842 0.857 . . . . 25.0 109.247 174.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.46 -31.91 70.49 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.606 1.162 . . . . 25.0 111.843 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -73.33 -26.99 61.27 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.497 1.119 . . . . 25.0 110.81 173.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -79.8 -22.96 62.91 Favored Glycine 0 CA--C 1.534 1.252 0 CA-C-O 118.506 -1.163 . . . . 25.0 112.503 175.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 24.1 mmt -73.51 -36.51 65.75 Favored 'General case' 0 C--N 1.346 0.413 0 CA-C-N 118.82 1.31 . . . . 25.0 110.037 171.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -76.36 -26.71 55.97 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.676 0.79 . . . . 25.0 111.816 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -76.2 -34.04 59.29 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.462 0.574 . . . . 25.0 110.942 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 51.1 mt -69.39 -33.42 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 124.163 0.985 . . . . 25.0 109.884 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -68.04 -35.03 77.58 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.911 0.884 . . . . 25.0 111.388 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -80.11 -26.06 39.66 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.665 1.186 . . . . 25.0 112.176 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -80.81 -33.12 34.99 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.75 0.82 . . . . 25.0 110.977 176.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 4.7 mmt -71.57 -17.76 62.28 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.414 1.086 . . . . 25.0 112.031 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -72.16 -44.56 62.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.926 0.891 . . . . 25.0 110.411 175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -75.58 -29.32 59.26 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.191 0.997 . . . . 25.0 111.408 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.23 91.24 Favored 'General case' 0 C--N 1.343 0.291 0 C-N-CA 123.726 0.81 . . . . 25.0 110.878 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -78.06 -18.37 55.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.017 1.327 . . . . 25.0 112.082 -176.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -76.55 -39.15 53.67 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.024 0.93 . . . . 25.0 110.602 173.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -78.56 -27.96 45.89 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.423 1.089 . . . . 25.0 112.013 178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -73.61 -27.16 61.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.851 0.86 . . . . 25.0 111.493 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -75.94 -31.09 58.93 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.79 0.836 . . . . 25.0 110.871 175.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.78 -20.75 45.51 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.769 1.228 . . . . 25.0 112.353 177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.53 107.84 6.91 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.422 1.089 . . . . 25.0 110.945 -172.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 63.67 -153.8 46.57 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.935 1.255 . . . . 25.0 113.602 168.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 44.6 mmtm . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.986 1.714 . . . . 25.0 108.441 176.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.088 0 N-CA-C 110.997 -0.841 . . . . 25.0 110.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . 144.74 23.11 0.14 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.544 1.069 . . . . 25.0 112.375 -173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -59.81 -34.32 72.89 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.153 1.381 . . . . 25.0 111.846 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 39.2 pt -125.33 167.08 20.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.814 1.646 . . . . 25.0 109.494 172.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 60.5 ttt180 -64.24 132.73 51.14 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.272 1.029 . . . . 25.0 108.921 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 -89.52 134.99 33.85 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.019 -0.734 . . . . 25.0 109.019 173.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.96 -41.1 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.314 1.045 . . . . 25.0 110.45 -171.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 30.3 p -116.51 163.33 16.23 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.873 1.269 . . . . 25.0 111.433 -173.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -79.62 0.04 31.77 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.521 1.528 . . . . 25.0 113.123 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 40.5 t0 -67.03 141.18 57.64 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.742 1.617 . . . . 25.0 111.404 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -78.34 -17.93 55.86 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.333 1.053 . . . . 25.0 112.409 175.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -73.32 -25.03 60.47 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.067 0.947 . . . . 25.0 111.305 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -68.92 -36.86 78.48 Favored 'General case' 0 C--N 1.346 0.437 0 C-N-CA 124.656 1.182 . . . . 25.0 110.921 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.85 -31.06 61.55 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.754 0.822 . . . . 25.0 111.133 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -74.47 -36.9 63.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.55 -0.738 . . . . 25.0 111.11 -177.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 24.4 ptp -76.08 -23.79 55.03 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.594 0.758 . . . . 25.0 111.823 175.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -72.98 -35.27 66.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.714 1.206 . . . . 25.0 110.58 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -89.84 -15.94 31.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.997 1.319 . . . . 25.0 112.304 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -84.25 -23.03 30.57 Favored 'General case' 0 C--N 1.344 0.353 0 CA-C-O 118.383 -0.818 . . . . 25.0 110.751 168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 36.2 mt -78.36 -26.18 46.6 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 123.656 0.783 . . . . 25.0 111.154 167.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.69 -33.63 64.51 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.925 0.89 . . . . 25.0 110.627 174.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 47.9 tp60 -79.62 -35.04 40.1 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.175 0.99 . . . . 25.0 111.151 178.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.16 -37.15 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-O 118.329 -0.843 . . . . 25.0 109.542 171.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -73.13 -22.59 60.5 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.499 1.12 . . . . 25.0 112.837 178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -82.57 -24.28 54.06 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.233 -0.759 . . . . 25.0 112.085 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 87.0 mt -91.95 -25.08 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.558 0 C-N-CA 124.84 1.256 . . . . 25.0 109.645 177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 63.5 mt -69.85 -30.52 44.77 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 C-N-CA 124.193 0.997 . . . . 25.0 108.945 162.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -72.35 -11.79 76.23 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.572 1.082 . . . . 25.0 112.76 175.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -100.26 -36.27 9.34 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.436 1.495 . . . . 25.0 110.53 171.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 27.7 tp -78.63 -21.38 48.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.303 1.441 . . . . 25.0 112.207 -172.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 -73.24 -23.51 60.35 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.338 1.055 . . . . 25.0 111.905 174.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -94.78 -29.23 14.87 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.862 1.265 . . . . 25.0 111.038 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 58.8 ttm -79.25 -40.75 29.82 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.022 0.929 . . . . 25.0 110.949 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.98 -21.97 59.79 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.977 0.911 . . . . 25.0 112.094 177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 58.2 tp -81.37 -40.04 24.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.922 1.289 . . . . 25.0 110.71 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -73.55 -35.77 65.56 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.233 1.013 . . . . 25.0 110.911 175.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 59.3 ttp -70.2 -29.36 66.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.691 1.196 . . . . 25.0 110.708 173.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -71.37 -22.96 78.56 Favored Glycine 0 CA--C 1.532 1.132 0 CA-C-O 118.887 -0.951 . . . . 25.0 112.133 176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -83.5 -34.82 25.24 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.213 1.005 . . . . 25.0 111.054 172.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -75.39 -25.19 57.43 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.97 0.805 . . . . 25.0 112.168 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 48.5 mt -74.59 -40.86 48.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.67 1.188 . . . . 25.0 109.076 173.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -80.85 -34.9 33.43 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.629 0.771 . . . . 25.0 112.716 -173.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 62.8 m -73.32 -33.02 64.93 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.596 0.758 . . . . 25.0 110.452 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -87.08 -20.67 26.79 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.205 1.002 . . . . 25.0 111.75 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -66.51 -33.25 75.27 Favored 'General case' 0 C--N 1.345 0.393 0 CA-C-N 119.303 0.956 . . . . 25.0 110.231 166.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -86.81 -13.97 43.56 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.033 1.333 . . . . 25.0 111.437 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -76.38 -41.77 46.86 Favored 'General case' 0 C--N 1.347 0.465 0 C-N-CA 123.575 0.75 . . . . 25.0 109.376 165.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 70.3 mt -65.81 -33.71 65.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 124.619 1.168 . . . . 25.0 109.839 176.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.96 -27.12 63.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.311 1.044 . . . . 25.0 112.088 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 35.1 ttp-105 -81.39 -37.02 28.85 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.802 0.841 . . . . 25.0 110.73 174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 68.3 mt -70.73 -36.19 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-O 118.192 -0.909 . . . . 25.0 110.773 -177.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 26.9 ptm -73.07 -22.58 60.57 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 118.965 0.802 . . . . 25.0 112.575 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -71.84 -44.54 63.68 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.544 0.738 . . . . 25.0 110.159 172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -78.37 -19.4 53.45 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.692 0.797 . . . . 25.0 112.168 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -78.8 -29.72 45.07 Favored 'General case' 0 C--N 1.342 0.26 0 C-N-CA 124.087 0.955 . . . . 25.0 111.192 175.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -80.54 -31.13 37.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.278 1.031 . . . . 25.0 111.171 174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 66.0 m -81.59 -30.03 33.12 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.968 0.907 . . . . 25.0 111.965 -178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -78.53 -26.52 45.79 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.264 172.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.9 -38.47 76.3 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.289 1.036 . . . . 25.0 109.86 173.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 68.0 m -70.72 -36.99 73.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.105 0.962 . . . . 25.0 110.781 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -75.48 -37.04 60.49 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 123.711 0.804 . . . . 25.0 111.755 -176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 13.5 tt -83.42 -25.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.345 0.385 0 CA-C-O 118.448 -0.787 . . . . 25.0 112.179 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -70.6 -28.73 65.08 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.782 0.719 . . . . 25.0 110.41 174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -81.31 -34.6 31.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.833 1.253 . . . . 25.0 111.407 175.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -79.01 -26.12 43.27 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.977 0.911 . . . . 25.0 112.245 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -80.65 -30.95 36.58 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 125.328 1.451 . . . . 25.0 110.726 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -68.2 -32.13 72.13 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.49 0.716 . . . . 25.0 110.453 174.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -76.94 -24.05 52.4 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.528 1.131 . . . . 25.0 111.942 174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -81.02 -30.31 34.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.831 0.852 . . . . 25.0 112.022 178.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 58.5 p -84.11 -17.04 41.47 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.567 1.147 . . . . 25.0 111.941 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 55.5 tttp -75.23 -27.15 59.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.144 0.978 . . . . 25.0 111.152 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 85.6 mmm -91.65 20.35 5.56 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.037 1.335 . . . . 25.0 111.573 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.8 mt -130.12 150.57 51.32 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.146 1.778 . . . . 25.0 109.12 171.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.175 0 CA-C-O 117.331 -1.816 . . . . 25.0 110.506 177.86 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.476 0.867 0 CA-C-O 121.017 0.437 . . . . 25.0 111.801 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . -73.29 161.77 54.4 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.014 1.292 . . . . 25.0 112.405 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . 170.35 -152.81 19.9 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 124.444 1.021 . . . . 25.0 111.581 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -153.43 163.79 30.82 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.144 0.878 . . . . 25.0 112.789 178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . 76.49 -172.79 54.58 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.477 1.037 . . . . 25.0 113.092 175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -156.21 155.28 26.19 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 124.737 1.16 . . . . 25.0 111.691 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 20.1 tt -70.43 -29.61 39.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.07 0.948 . . . . 25.0 111.901 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 72.9 mt -78.74 159.38 27.96 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.306 1.042 . . . . 25.0 110.103 174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -63.01 133.44 54.6 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 25.0 110.519 -177.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -70.5 154.97 41.31 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.621 1.168 . . . . 25.0 112.1 -175.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.01 -36.64 56.15 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.656 0.782 . . . . 25.0 109.886 166.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 166.0 -147.64 12.53 Favored Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.675 1.131 . . . . 25.0 110.923 -178.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -136.43 174.97 10.04 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.898 1.279 . . . . 25.0 110.333 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.9 tt -151.75 130.84 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 126.184 1.794 . . . . 25.0 108.486 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 6.6 t -96.91 145.24 26.08 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.393 1.077 . . . . 25.0 109.615 173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -160.88 170.71 20.11 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.143 1.777 . . . . 25.0 108.787 172.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 38.8 p -150.86 137.41 18.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.095 0.958 . . . . 25.0 110.408 -162.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 84.7 mt -126.99 164.26 21.89 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.994 1.318 . . . . 25.0 110.523 -171.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 12.5 ttm-85 -170.71 146.99 2.74 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.5 1.92 . . . . 25.0 107.615 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -111.91 153.46 26.67 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.231 0.612 . . . . 25.0 110.707 169.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 59.5 t -130.82 119.86 18.27 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.95 -25.64 1.41 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 C-N-CA 123.071 2.514 . . . . 25.0 113.288 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 58.0 p -80.64 -32.84 36.06 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.124 0.97 . . . . 25.0 111.779 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -89.02 -24.43 22.36 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.377 1.071 . . . . 25.0 111.439 173.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 79.87 21.79 65.17 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-O 118.269 -1.295 . . . . 25.0 112.464 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -114.11 138.62 50.18 Favored 'General case' 0 C--N 1.345 0.384 0 CA-C-N 118.577 1.189 . . . . 25.0 112.623 -166.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 17.3 tp -83.91 114.78 21.92 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.09 1.356 . . . . 25.0 108.09 161.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 64.2 m -83.61 135.15 34.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.268 1.027 . . . . 25.0 108.787 171.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.82 131.91 67.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 125.081 1.352 . . . . 25.0 108.507 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 75.2 t -138.66 128.87 33.45 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 125.667 1.587 . . . . 25.0 107.161 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 95.2 mt -103.94 139.5 24.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 176.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 89.5 mt -112.47 -110.95 0.34 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.327 1.451 . . . . 25.0 109.41 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -109.61 -177.93 3.41 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.392 1.477 . . . . 25.0 111.928 -163.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -158.66 143.33 15.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.343 1.857 . . . . 25.0 109.734 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -90.9 -39.93 12.02 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 123.537 0.735 . . . . 25.0 112.346 -172.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 15.8 t30 -162.97 146.84 11.12 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.487 1.115 . . . . 25.0 110.039 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 4.6 pp -155.47 165.07 37.71 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.194 1.398 . . . . 25.0 110.845 -173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.46 137.52 55.91 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.523 1.129 . . . . 25.0 111.268 -172.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm -81.42 140.59 34.58 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.097 1.359 . . . . 25.0 110.984 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 15.3 tpt -79.25 113.12 17.13 Favored 'General case' 0 C--N 1.341 0.237 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 168.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 14.7 t70 63.0 -172.18 0.16 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.107 1.363 . . . . 25.0 110.415 -170.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 68.0 t -77.7 111.25 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.49 67.17 Favored Glycine 0 CA--C 1.536 1.382 0 CA-C-O 118.23 -1.317 . . . . 25.0 115.237 172.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . -86.15 177.17 49.08 Favored Glycine 0 CA--C 1.533 1.192 0 CA-C-N 119.303 1.552 . . . . 25.0 112.381 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 91.8 mt -114.73 133.0 56.24 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.007 0.923 . . . . 25.0 111.262 -170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 68.4 m -75.81 160.59 29.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.235 1.014 . . . . 25.0 110.491 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -118.77 83.39 22.46 Favored Pre-proline 0 CA--C 1.535 0.401 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 176.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.48 137.8 16.87 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 122.325 2.017 . . . . 25.0 112.698 -164.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -108.36 157.83 18.04 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.418 -0.956 . . . . 25.0 108.418 153.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.31 145.13 23.53 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 124.331 1.052 . . . . 25.0 109.428 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -124.9 125.38 43.86 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.785 1.234 . . . . 25.0 109.263 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 21.3 mt -95.96 144.86 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.22 1.408 . . . . 25.0 107.937 175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -134.33 119.22 18.4 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.857 1.263 . . . . 25.0 107.602 162.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.01 145.78 37.79 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 162.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 58.2 mtt -142.36 172.27 12.93 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.177 1.391 . . . . 25.0 109.571 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -153.69 126.74 8.39 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.652 1.181 . . . . 25.0 108.3 163.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 8.9 t30 61.41 27.24 16.88 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.949 1.3 . . . . 25.0 111.242 -170.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 79.42 -0.19 81.52 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.011 1.291 . . . . 25.0 114.06 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -96.9 136.43 37.47 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.66 1.584 . . . . 25.0 109.203 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -55.42 147.65 16.92 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.616 1.166 . . . . 25.0 112.307 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.27 -49.7 0.42 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 25.0 110.233 -173.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -147.57 177.84 8.94 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.015 1.726 . . . . 25.0 110.007 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -165.25 152.24 10.57 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.152 1.381 . . . . 25.0 112.133 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -152.67 170.34 20.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.082 2.153 . . . . 25.0 109.78 176.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -165.76 156.06 12.97 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 124.627 1.171 . . . . 25.0 112.631 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 70.6 p -96.2 -179.32 4.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.155 1.782 . . . . 25.0 111.398 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 72.3 p -86.06 166.81 15.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.403 1.481 . . . . 25.0 110.352 166.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 38.1 pt -74.78 152.92 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 123.868 0.867 . . . . 25.0 111.48 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -103.21 94.04 5.31 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.387 1.075 . . . . 25.0 108.482 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -72.17 106.18 4.28 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.077 1.351 . . . . 25.0 108.793 -173.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 65.65 110.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 128.213 2.605 . . . . 25.0 110.601 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 3.1 t -166.75 159.43 13.83 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.686 1.195 . . . . 25.0 111.053 178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 88.2 mt -111.25 -46.86 3.25 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.98 1.312 . . . . 25.0 109.266 168.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -122.23 118.14 29.1 Favored Pre-proline 0 CA--C 1.537 0.473 0 C-N-CA 125.945 1.698 . . . . 25.0 107.238 175.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -75.35 156.97 41.52 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.905 2.404 . . . . 25.0 112.502 -174.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -132.83 132.98 42.77 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 125.735 1.614 . . . . 25.0 108.074 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 70.8 m-85 -116.89 109.0 16.5 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.372 0.669 . . . . 25.0 109.278 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -69.81 -28.23 65.55 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.6 1.16 . . . . 25.0 110.573 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -69.75 138.23 52.62 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 125.381 1.472 . . . . 25.0 109.965 173.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 57.9 m -145.08 157.64 44.05 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.884 1.674 . . . . 25.0 109.001 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -138.93 162.8 33.97 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.361 0.664 . . . . 25.0 111.87 -161.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 65.8 m -151.68 137.19 17.75 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 125.112 1.365 . . . . 25.0 109.227 172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -109.59 141.52 42.0 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.835 1.654 . . . . 25.0 108.798 172.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -86.21 124.45 32.62 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.983 -0.747 . . . . 25.0 108.983 170.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.7 104.99 1.05 Allowed Pre-proline 0 CA--C 1.545 0.754 0 C-N-CA 125.656 1.582 . . . . 25.0 107.395 -177.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.62 152.07 47.68 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.951 2.434 . . . . 25.0 112.336 -169.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -70.14 -25.77 63.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.591 1.556 . . . . 25.0 113.073 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 12.8 mp0 -77.02 -7.49 55.75 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.436 1.095 . . . . 25.0 111.889 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -129.38 8.34 5.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.315 1.846 . . . . 25.0 111.33 -175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 5.9 tt -81.23 5.38 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 125.36 1.464 . . . . 25.0 113.704 -168.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 -61.42 -40.89 96.08 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.086 1.354 . . . . 25.0 113.256 -166.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -102.8 0.16 32.33 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.731 0.813 . . . . 25.0 112.961 -177.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 61.9 t -70.09 144.27 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 124.603 1.161 . . . . 25.0 110.636 -173.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 356' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -159.7 132.84 6.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.13 1.772 . . . . 25.0 109.084 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 8.4 p -95.44 148.05 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.963 0.905 . . . . 25.0 110.281 179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.62 136.78 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 126.395 1.878 . . . . 25.0 106.996 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.19 140.82 47.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 125.343 1.457 . . . . 25.0 107.874 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 34.2 m -137.49 130.47 30.43 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.43 1.092 . . . . 25.0 109.316 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 44.4 t -86.33 124.46 40.35 Favored 'Isoleucine or valine' 0 C--N 1.342 0.248 0 C-N-CA 124.413 1.085 . . . . 25.0 108.332 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 11.8 mt -135.48 -173.88 3.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.301 1.44 . . . . 25.0 109.844 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -173.23 135.06 0.56 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 127.453 2.301 . . . . 25.0 106.818 -173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -81.83 28.71 0.41 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.737 0.815 . . . . 25.0 112.712 -176.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -65.9 99.17 0.46 Allowed 'General case' 0 C--N 1.344 0.339 0 N-CA-C 106.906 -1.516 . . . . 25.0 106.906 154.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 15.4 ptmm? -89.75 9.39 27.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.157 1.383 . . . . 25.0 112.781 -170.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 58.2 mt -69.79 122.37 21.26 Favored 'Isoleucine or valine' 0 C--N 1.345 0.376 0 C-N-CA 124.875 1.27 . . . . 25.0 107.884 178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 75.99 -159.58 50.75 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.122 0.867 . . . . 25.0 111.806 -176.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -73.04 167.39 21.2 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.387 1.075 . . . . 25.0 111.777 177.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -71.57 133.36 45.71 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.401 0.68 . . . . 25.0 109.32 169.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -163.27 133.04 4.25 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.06 1.344 . . . . 25.0 108.69 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -83.99 149.69 26.12 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.05 0.94 . . . . 25.0 112.176 -174.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 93.7 mt -73.41 -32.08 35.68 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.735 1.614 . . . . 25.0 109.865 170.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . -166.02 177.81 40.94 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.699 1.143 . . . . 25.0 112.231 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -164.06 145.44 8.73 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.016 1.327 . . . . 25.0 109.953 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 16.2 m -144.93 165.7 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 127.091 2.156 . . . . 25.0 109.019 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -165.22 150.91 9.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.187 0.995 . . . . 25.0 110.911 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.74 153.25 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 125.163 1.385 . . . . 25.0 110.257 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 379' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 123.05 -133.46 9.06 Favored Glycine 0 C--N 1.342 0.899 0 C-N-CA 124.718 1.152 . . . . 25.0 112.474 173.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 380' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -57.46 137.29 56.39 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 125.171 1.389 . . . . 25.0 111.963 -174.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 76.63 -13.26 0.94 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 127.725 2.41 . . . . 25.0 112.728 176.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 28.9 m -83.1 169.37 15.95 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 125.342 1.457 . . . . 25.0 111.5 176.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 76.7 p -142.34 163.06 33.87 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.277 1.431 . . . . 25.0 110.746 -175.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 77.28 -131.79 11.51 Favored Glycine 0 C--N 1.342 0.896 0 C-N-CA 124.092 0.853 . . . . 25.0 111.126 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -69.69 -28.47 65.87 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.063 0.945 . . . . 25.0 111.983 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 12.4 mp0 -76.5 -5.95 49.73 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.652 1.181 . . . . 25.0 112.105 177.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 50.1 tp -106.71 -27.77 10.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.144 . . . . 25.0 110.605 169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -70.35 -31.69 69.08 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.282 1.033 . . . . 25.0 111.997 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 17.2 t-160 -67.96 -20.46 65.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.596 0.758 . . . . 25.0 112.045 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 390' ' ' TRP . . . . . 0.441 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 63.1 t-105 -106.42 -32.07 8.28 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.222 1.409 . . . . 25.0 112.364 -175.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 57.9 m -88.77 -26.7 21.6 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-O 118.043 -0.98 . . . . 25.0 112.197 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -86.12 -20.56 28.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.674 0.79 . . . . 25.0 111.228 172.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -71.72 -30.52 65.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.937 1.295 . . . . 25.0 111.145 169.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 96.1 mt -102.13 -3.96 26.65 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.199 1.4 . . . . 25.0 112.377 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -70.77 -23.53 62.42 Favored 'General case' 0 C--N 1.348 0.502 0 CA-C-N 119.187 0.903 . . . . 25.0 111.61 172.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -154.33 122.88 3.03 Favored Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 124.548 1.139 . . . . 25.0 108.284 171.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -75.37 153.31 39.95 Favored 'Trans proline' 0 N--CA 1.455 -0.751 0 C-N-CA 123.137 2.558 . . . . 25.0 110.681 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 24.6 mtp-105 78.13 -17.65 0.56 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.479 2.711 . . . . 25.0 112.105 -177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -79.68 124.94 83.37 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.196 0.998 . . . . 25.0 108.979 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.68 168.18 22.89 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 123.427 2.752 . . . . 25.0 112.11 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 18.4 tt -154.86 153.9 7.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 C-N-CA 125.534 1.533 . . . . 25.0 109.134 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -156.4 140.31 16.24 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.652 1.181 . . . . 25.0 109.831 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -169.69 153.49 5.01 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.938 1.295 . . . . 25.0 111.324 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 88.2 m95 -80.58 158.83 25.62 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.623 1.569 . . . . 25.0 111.614 179.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -149.6 138.07 20.77 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 125.964 1.706 . . . . 25.0 109.422 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 84.9 m -74.18 135.24 42.79 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.427 1.091 . . . . 25.0 110.051 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.03 148.31 51.88 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.105 1.362 . . . . 25.0 111.571 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -138.51 158.01 45.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.896 1.678 . . . . 25.0 109.255 -177.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 53.6 t -73.02 148.88 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 124.198 0.999 . . . . 25.0 109.305 174.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.75 -40.7 93.46 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.191 0.996 . . . . 25.0 112.904 -175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -84.4 -20.36 32.01 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.483 1.113 . . . . 25.0 111.639 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -76.74 -23.55 53.01 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.818 0.847 . . . . 25.0 111.142 169.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 41.2 t -86.69 -27.59 5.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.9 1.28 . . . . 25.0 110.279 171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -70.71 -27.77 64.23 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 119.355 0.98 . . . . 25.0 111.438 177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -72.22 -20.61 61.53 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.739 1.216 . . . . 25.0 112.297 173.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 66.4 mtt -94.73 -28.47 15.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.094 1.358 . . . . 25.0 111.611 178.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.33 3.25 24.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.643 1.577 . . . . 25.0 111.348 171.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.6 0 C-N-CA 124.729 1.212 . . . . 25.0 112.777 174.637 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.978 0.418 . . . . 25.0 111.946 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.61 154.18 40.89 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.391 1.077 . . . . 25.0 110.965 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 34.8 p -133.61 161.93 33.31 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.909 1.683 . . . . 25.0 109.826 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 93.3 p -154.72 162.6 41.05 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.255 1.022 . . . . 25.0 111.64 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -82.65 10.14 8.08 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.362 1.465 . . . . 25.0 113.282 -178.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -58.59 -35.9 73.15 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.198 0.999 . . . . 25.0 113.402 -172.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -80.04 -29.21 39.23 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.29 0.95 . . . . 25.0 111.813 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.7 tp -70.37 -32.38 70.03 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.844 0.747 . . . . 25.0 110.739 171.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -76.22 -29.97 57.77 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.704 1.602 . . . . 25.0 111.458 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -86.46 -21.15 27.2 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.806 1.242 . . . . 25.0 112.066 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.3 m -86.22 -24.48 26.04 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.341 1.056 . . . . 25.0 110.266 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.92 -34.63 73.72 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.638 0.775 . . . . 25.0 110.059 166.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.0 -22.0 46.17 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.285 1.034 . . . . 25.0 112.41 175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -81.22 -39.74 24.9 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.981 0.81 . . . . 25.0 110.218 177.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.61 -30.28 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 118.36 -0.828 . . . . 25.0 109.986 174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -68.73 -30.86 69.58 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.163 0.892 . . . . 25.0 111.924 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -87.79 -21.58 25.01 Favored 'General case' 0 C--N 1.343 0.308 0 C-N-CA 124.303 1.041 . . . . 25.0 112.795 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.5 t -91.79 -20.45 6.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 123.983 0.913 . . . . 25.0 109.816 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 t -63.66 -41.25 91.97 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 N-CA-C 108.582 -0.895 . . . . 25.0 108.582 159.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -70.06 -26.49 64.04 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.202 0.91 . . . . 25.0 112.388 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 77.5 mt -75.22 -42.96 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.487 0.715 . . . . 25.0 109.312 173.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 87.5 mmm -77.84 -17.56 57.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.106 0.963 . . . . 25.0 113.402 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -75.43 -34.23 60.98 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 119.515 1.052 . . . . 25.0 110.188 172.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 53.9 t -75.45 -33.41 27.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.403 1.081 . . . . 25.0 110.104 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -74.0 -35.75 64.44 Favored 'General case' 0 C--N 1.343 0.315 0 CA-C-N 119.011 0.823 . . . . 25.0 111.172 178.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.5 t -67.36 -35.83 74.81 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.16 0.984 . . . . 25.0 109.98 175.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -73.22 -31.47 64.17 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.584 0.754 . . . . 25.0 111.807 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -78.44 -25.11 45.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.317 1.047 . . . . 25.0 111.889 176.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.0 t -83.26 -30.17 8.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.307 1.043 . . . . 25.0 110.359 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 80.3 mt -77.17 -18.9 57.47 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.843 0.747 . . . . 25.0 111.373 170.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.94 -35.41 37.76 Favored 'General case' 0 C--N 1.346 0.426 0 C-N-CA 124.055 0.942 . . . . 25.0 110.418 170.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -66.14 -29.29 69.57 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 124.04 0.936 . . . . 25.0 111.195 171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.44 -36.55 79.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.869 0.759 . . . . 25.0 110.846 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -78.48 -22.72 47.06 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.098 1.359 . . . . 25.0 112.09 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -91.45 -28.8 17.4 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.258 1.023 . . . . 25.0 111.91 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.5 mt -87.07 -23.77 24.81 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 124.901 1.28 . . . . 25.0 111.852 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.1 p -71.43 -31.95 67.8 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.466 0.576 . . . . 25.0 110.891 172.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -83.98 -28.53 27.69 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-O 117.81 -1.09 . . . . 25.0 111.725 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.2 tp -78.99 -25.35 43.36 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 119.359 0.981 . . . . 25.0 111.451 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -73.6 -25.37 60.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.456 0.702 . . . . 25.0 111.421 173.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -93.08 -23.86 18.49 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.79 1.236 . . . . 25.0 112.205 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -87.0 -29.05 22.28 Favored 'General case' 0 C--N 1.343 0.311 0 C-N-CA 124.803 1.241 . . . . 25.0 111.029 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.02 68.98 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.629 0.771 . . . . 25.0 110.454 167.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -78.2 -23.13 47.66 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.118 0.967 . . . . 25.0 112.022 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -81.76 -25.58 35.22 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.425 1.09 . . . . 25.0 111.36 172.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.5 tt -73.05 -42.5 63.03 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.043 1.337 . . . . 25.0 108.375 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -67.08 -30.38 70.41 Favored 'General case' 0 C--N 1.347 0.487 0 C-N-CA 125.146 1.378 . . . . 25.0 111.596 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.88 -35.82 69.88 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 123.524 0.73 . . . . 25.0 110.887 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.54 -14.13 82.45 Favored Glycine 0 CA--C 1.534 1.251 0 CA-C-O 118.363 -1.243 . . . . 25.0 112.488 173.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.9 -38.01 14.01 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.799 1.24 . . . . 25.0 111.326 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.0 p -72.64 -31.39 65.09 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 124.485 1.114 . . . . 25.0 111.207 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -78.64 -32.14 47.19 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.264 -0.874 . . . . 25.0 111.098 174.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -73.4 -27.34 61.4 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.934 0.788 . . . . 25.0 111.654 176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -79.32 -35.47 41.07 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.548 1.139 . . . . 25.0 110.628 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.4 m -72.48 -34.7 67.89 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.454 1.102 . . . . 25.0 110.88 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 58.2 m -80.59 -22.03 41.08 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-O 117.846 -1.073 . . . . 25.0 112.147 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.1 -22.0 39.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 124.327 1.051 . . . . 25.0 111.979 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.28 -28.82 53.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.976 0.91 . . . . 25.0 111.042 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.3 -21.31 29.02 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.382 1.073 . . . . 25.0 111.157 173.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.9 tp -69.06 -40.71 78.37 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.142 0.977 . . . . 25.0 109.273 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -68.7 -26.28 65.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.06 1.344 . . . . 25.0 111.275 173.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -82.32 -27.75 32.08 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.088 0.858 . . . . 25.0 112.64 -178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -76.93 -51.12 11.75 Favored 'General case' 0 C--N 1.344 0.342 0 CA-C-N 119.074 0.852 . . . . 25.0 109.833 175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -92.6 -74.55 0.52 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.772 0.829 . . . . 25.0 110.84 -166.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -62.2 -34.63 76.82 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 114.137 1.162 . . . . 25.0 114.137 -170.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -75.45 -21.52 58.06 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.0 0.92 . . . . 25.0 112.158 -173.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -105.2 -10.84 16.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.15 1.38 . . . . 25.0 112.324 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -105.45 -37.29 6.87 Favored 'General case' 0 C--N 1.345 0.396 0 C-N-CA 124.533 1.133 . . . . 25.0 111.944 -173.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.0 tp . . . . . 0 C--O 1.251 1.145 0 C-N-CA 124.592 1.157 . . . . 25.0 108.932 174.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 188' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 121.201 0.524 . . . . 25.0 112.09 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 189' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -67.21 158.08 32.22 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.8 1.24 . . . . 25.0 111.724 175.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 190' ' ' GLN . . . . . . . . . . . . . 4.2 tm0? -64.45 158.55 23.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.464 1.506 . . . . 25.0 110.844 -177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 191' ' ' ALA . . . . . . . . . . . . . . . -66.82 0.4 2.46 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.642 1.577 . . . . 25.0 114.103 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 192' ' ' LEU . . . . . . . . . . . . . 63.2 tp -58.12 -20.54 41.11 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.986 1.714 . . . . 25.0 111.443 162.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 193' ' ' SER . . . . . . . . . . . . . 93.3 p -67.27 -23.26 65.66 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.329 1.452 . . . . 25.0 113.273 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 194' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.4 -9.31 56.58 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.995 0.816 . . . . 25.0 112.163 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 195' ' ' ILE . . . . . . . . . . . . . 54.0 mt -95.96 -33.87 4.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.806 1.642 . . . . 25.0 108.579 172.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 196' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.13 -36.75 20.89 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 125.728 1.611 . . . . 25.0 111.975 -173.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 197' ' ' THR . . . . . . . . . . . . . 89.2 m -77.48 -28.96 52.45 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.771 0.828 . . . . 25.0 110.465 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 198' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -69.75 -36.37 75.76 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.132 0.573 . . . . 25.0 110.475 172.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 199' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -68.86 -32.16 71.62 Favored 'General case' 0 C--N 1.346 0.428 0 C-N-CA 123.563 0.745 . . . . 25.0 111.315 172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 200' ' ' SER . . . . . . . . . . . . . 59.6 m -72.0 -26.88 62.41 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 123.872 0.869 . . . . 25.0 111.954 178.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.06 -16.96 38.9 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.743 1.217 . . . . 25.0 111.934 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 202' ' ' ILE . . . . . . . . . . . . . 18.1 mt -87.85 -32.71 6.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 125.256 1.422 . . . . 25.0 110.539 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 203' ' ' ILE . . . . . . . . . . . . . 15.0 pt -82.82 -15.87 11.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 CA-C-N 119.223 0.919 . . . . 25.0 111.251 171.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 204' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -79.75 -38.07 34.08 Favored 'General case' 0 C--N 1.345 0.399 0 C-N-CA 124.437 1.095 . . . . 25.0 110.124 170.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 205' ' ' LEU . . . . . . . . . . . . . 57.9 tp -72.86 -34.52 66.8 Favored 'General case' 0 C--N 1.344 0.326 0 C-N-CA 123.734 0.814 . . . . 25.0 110.359 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 206' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -71.5 -36.32 71.06 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-O 118.47 -0.776 . . . . 25.0 110.522 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -68.28 -28.54 67.28 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 118.861 0.755 . . . . 25.0 111.8 177.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 66.5 m -85.14 -22.72 28.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.188 0.995 . . . . 25.0 111.875 177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . . . . . . . . . 56.1 mt -79.7 -25.88 12.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.711 1.205 . . . . 25.0 109.768 170.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -79.64 -29.25 40.92 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.503 1.121 . . . . 25.0 111.182 173.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -72.73 -32.73 65.91 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.244 1.017 . . . . 25.0 110.269 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' LEU . . . . . . . . . . . . . 32.8 tp -77.49 -40.94 41.2 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.311 1.044 . . . . 25.0 110.887 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -73.91 -22.91 59.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.102 0.961 . . . . 25.0 111.524 178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -66.06 -32.72 74.35 Favored 'General case' 0 C--N 1.344 0.337 0 CA-C-O 118.53 -0.748 . . . . 25.0 110.675 171.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.42 -27.27 27.7 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-O 118.113 -0.946 . . . . 25.0 112.382 177.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -73.46 -28.94 62.23 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 119.705 1.139 . . . . 25.0 111.548 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' MET . . . . . . . . . . . . . 92.5 mmm -89.29 -41.49 12.15 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.827 0.851 . . . . 25.0 111.587 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.34 -32.56 66.59 Favored 'General case' 0 C--N 1.343 0.321 0 CA-C-N 118.815 0.734 . . . . 25.0 111.403 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' MET . . . . . . . . . . . . . 29.9 ttp -81.36 -23.65 37.56 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.501 -0.762 . . . . 25.0 111.534 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ALA . . . . . . . . . . . . . . . -72.55 -26.23 61.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.187 0.903 . . . . 25.0 111.495 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 221' ' ' MET . . . . . . . . . . . . . 23.1 mmt -80.2 -32.36 38.61 Favored 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.306 1.043 . . . . 25.0 111.154 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 222' ' ' LEU . . . . . . . . . . . . . 37.7 mt -76.42 -37.65 56.76 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-O 118.43 -0.795 . . . . 25.0 111.248 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 223' ' ' VAL . . . . . . . . . . . . . 34.9 t -70.76 -29.41 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.064 0.946 . . . . 25.0 110.217 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 224' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -74.47 -36.88 63.33 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.826 0.85 . . . . 25.0 111.277 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 225' ' ' SER . . . . . . . . . . . . . 61.5 m -77.49 -17.03 58.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.504 1.122 . . . . 25.0 112.55 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 226' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -98.75 -13.62 20.11 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.725 1.61 . . . . 25.0 111.021 173.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 227' ' ' GLY . . . . . . . . . . . . . . . -77.5 -20.44 74.51 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 110.916 -0.874 . . . . 25.0 110.916 166.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 228' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -73.24 -36.07 66.36 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.606 1.162 . . . . 25.0 110.068 168.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 229' ' ' MET . . . . . . . . . . . . . 63.4 mtt -70.47 -40.25 73.77 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-O 118.321 -0.847 . . . . 25.0 110.612 176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 230' ' ' ILE . . . . . . . . . . . . . 64.8 mt -71.41 -34.54 53.83 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.56 1.144 . . . . 25.0 110.783 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 231' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -73.06 -29.22 62.8 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.81 0.844 . . . . 25.0 111.613 176.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 232' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -84.48 -29.05 26.34 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.422 1.089 . . . . 25.0 111.398 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 233' ' ' ILE . . . . . . . . . . . . . 40.8 mt -70.52 -38.42 73.56 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 124.354 1.062 . . . . 25.0 108.67 170.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 234' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -66.46 -39.2 88.69 Favored 'General case' 0 C--N 1.342 0.264 0 CA-C-O 118.612 -0.708 . . . . 25.0 110.907 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 235' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -75.89 -28.07 57.96 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.322 0.649 . . . . 25.0 112.067 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 236' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -76.53 -35.03 58.52 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.076 1.35 . . . . 25.0 110.683 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 237' ' ' VAL . . . . . . . . . . . . . 54.0 t -82.0 -24.71 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.726 1.21 . . . . 25.0 110.635 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 238' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.35 -31.67 71.23 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.655 1.116 . . . . 25.0 110.843 169.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 239' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -80.87 -29.81 35.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.215 1.006 . . . . 25.0 110.985 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 240' ' ' ALA . . . . . . . . . . . . . . . -81.45 -25.14 36.36 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.119 0.968 . . . . 25.0 112.091 177.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 241' ' ' VAL . . . . . . . . . . . . . 13.5 t -70.69 -36.21 64.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 124.449 1.1 . . . . 25.0 108.929 168.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 242' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.51 -36.41 71.07 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.029 0.932 . . . . 25.0 111.565 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 243' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -69.03 -37.11 78.44 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 118.587 -0.72 . . . . 25.0 111.443 174.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 244' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.12 -43.01 51.84 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 123.96 0.904 . . . . 25.0 111.297 -175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 245' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -70.62 -27.62 64.21 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.715 0.688 . . . . 25.0 111.8 -176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 246' ' ' ARG . . . . . . . . . . . . . 49.5 mtm105 -82.6 -33.9 27.81 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.015 0.926 . . . . 25.0 111.242 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 247' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.38 76.99 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.42 0.688 . . . . 25.0 111.527 178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 248' ' ' VAL . . . . . . . . . . . . . 71.9 t -85.44 -25.82 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.175 0.99 . . . . 25.0 110.888 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 249' ' ' SER . . . . . . . . . . . . . 28.7 m -71.48 -22.8 61.76 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.128 0.877 . . . . 25.0 112.384 172.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 250' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -103.55 -12.42 17.11 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.563 1.145 . . . . 25.0 112.615 177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 251' ' ' THR . . . . . . . . . . . . . 18.4 m -79.83 -38.26 33.26 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.028 0.831 . . . . 25.0 109.507 167.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 252' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -63.46 -36.19 82.93 Favored 'General case' 0 C--N 1.344 0.335 0 C-N-CA 123.604 0.762 . . . . 25.0 111.092 173.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 253' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -75.51 -32.17 60.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.958 0.903 . . . . 25.0 111.474 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 254' ' ' ALA . . . . . . . . . . . . . . . -71.73 -27.29 62.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.416 1.086 . . . . 25.0 112.703 174.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 255' ' ' VAL . . . . . . . . . . . . . 39.6 t -91.13 -30.41 4.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 C-N-CA 125.275 1.43 . . . . 25.0 111.247 -173.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 256' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -72.9 -11.19 60.49 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.761 0.824 . . . . 25.0 112.538 174.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 257' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -138.73 41.94 2.15 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.286 1.434 . . . . 25.0 109.903 -177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 258' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -78.61 -19.61 52.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.18 0.992 . . . . 25.0 112.438 170.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 259' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 C--O 1.252 1.218 0 C-N-CA 126.04 1.736 . . . . 25.0 110.149 -174.426 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' MET . . . . . . . . . . . . . 18.1 tmm? . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.128 -0.463 . . . . 25.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 mmm-85 -64.84 -31.55 72.83 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 124.469 1.107 . . . . 25.0 113.428 -172.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -79.69 -32.39 41.4 Favored 'General case' 0 C--N 1.344 0.329 0 CA-C-N 118.892 0.769 . . . . 25.0 111.235 178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.72 -29.21 63.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.686 0.675 . . . . 25.0 110.998 176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.9 tp -76.56 -35.49 58.18 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.046 1.339 . . . . 25.0 110.564 175.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.87 -34.63 66.84 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.965 0.906 . . . . 25.0 111.271 178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -77.97 -24.45 48.1 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.262 1.025 . . . . 25.0 111.657 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.4 tmm? -73.9 -40.9 62.85 Favored 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.9 0.88 . . . . 25.0 109.596 172.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -71.96 -32.88 67.72 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 125.171 1.389 . . . . 25.0 112.408 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -82.92 -28.33 29.98 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.934 0.894 . . . . 25.0 111.518 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -77.63 -32.64 53.53 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.685 0.794 . . . . 25.0 110.39 172.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -28.68 59.09 Favored 'General case' 0 C--N 1.344 0.331 0 C-N-CA 123.974 0.909 . . . . 25.0 111.845 176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.68 -37.97 62.52 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.246 1.018 . . . . 25.0 110.179 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -69.73 -41.72 74.92 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.181 0.992 . . . . 25.0 110.336 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.0 mt -72.98 -31.25 64.41 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 118.25 -0.881 . . . . 25.0 111.861 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.72 -28.92 51.0 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 119.026 0.83 . . . . 25.0 111.824 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -82.54 -32.53 28.57 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.139 0.976 . . . . 25.0 111.367 176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -85.64 -25.34 26.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.138 0.975 . . . . 25.0 111.438 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 31.6 m -73.86 -37.76 64.67 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 118.869 0.758 . . . . 25.0 110.561 169.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 60.7 tp -71.32 -36.93 71.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.279 0.631 . . . . 25.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -75.49 -28.88 59.36 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.713 0.805 . . . . 25.0 110.975 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' SER . . . . . . . . . . . . . 47.2 t -75.88 -35.76 59.75 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 118.076 -0.964 . . . . 25.0 111.694 178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' THR . . . . . . . . . . . . . 49.8 p -76.41 -31.97 58.24 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.384 0.993 . . . . 25.0 111.009 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -71.44 -18.53 62.32 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.583 1.153 . . . . 25.0 111.494 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 39.7 ttp-105 -96.8 -20.95 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.489 1.515 . . . . 25.0 111.605 176.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' MET . . . . . . . . . . . . . 61.0 mtt -63.8 -36.94 85.56 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 119.925 1.239 . . . . 25.0 109.742 164.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 31.9 tp -70.34 -20.78 62.96 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.144 1.378 . . . . 25.0 111.736 -176.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -77.24 -48.22 18.09 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.083 0.953 . . . . 25.0 110.04 170.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 mt -72.44 -39.6 67.7 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.641 1.176 . . . . 25.0 112.49 -168.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.1 p -77.7 -27.99 15.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.599 1.159 . . . . 25.0 111.369 -176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -78.64 -27.38 45.35 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.1 1.36 . . . . 25.0 110.988 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -85.72 -17.09 36.92 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.505 1.122 . . . . 25.0 111.74 172.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' SER . . . . . . . . . . . . . 72.6 m -74.54 -29.03 61.21 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 123.673 0.789 . . . . 25.0 110.741 167.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -77.34 -33.45 55.41 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.386 1.074 . . . . 25.0 110.572 173.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.21 -29.84 66.78 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.94 0.896 . . . . 25.0 111.255 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.25 -21.52 27.35 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.437 1.095 . . . . 25.0 112.193 176.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLY . . . . . . . . . . . . . . . -85.15 -26.93 35.14 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 124.351 0.977 . . . . 25.0 112.161 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 14.8 tt -85.07 -27.18 6.58 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.023 0.929 . . . . 25.0 110.806 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 38.3 mtm105 -70.51 -28.58 65.06 Favored 'General case' 0 C--N 1.347 0.472 0 CA-C-O 118.544 -0.741 . . . . 25.0 111.117 170.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -74.46 -33.73 62.97 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.433 -0.794 . . . . 25.0 110.525 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' LEU . . . . . . . . . . . . . 18.8 mt -74.85 -27.54 60.31 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 119.083 0.856 . . . . 25.0 112.684 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' VAL . . . . . . . . . . . . . 37.6 t -78.93 -30.77 14.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 C-N-CA 124.286 1.034 . . . . 25.0 110.033 175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' MET . . . . . . . . . . . . . 56.1 mtt -73.04 -32.62 65.19 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.861 0.864 . . . . 25.0 111.374 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' LEU . . . . . . . . . . . . . 59.8 mt -82.02 -18.7 42.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.45 1.1 . . . . 25.0 111.917 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -72.87 -33.12 65.89 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.907 0.776 . . . . 25.0 110.323 170.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -83.64 -37.16 23.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.534 1.134 . . . . 25.0 111.378 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -80.41 -25.66 38.93 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.087 0.955 . . . . 25.0 112.223 -177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.24 66.44 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 119.403 -0.665 . . . . 25.0 111.533 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -76.49 -31.53 57.79 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.168 1.387 . . . . 25.0 110.782 174.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -83.15 -33.69 26.19 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.509 1.123 . . . . 25.0 112.244 -179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 mt -72.91 -23.07 60.66 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 123.574 0.75 . . . . 25.0 111.762 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -75.68 -26.22 57.43 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.855 0.862 . . . . 25.0 111.4 172.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -88.02 -21.76 24.61 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.235 1.014 . . . . 25.0 112.697 175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' VAL . . . . . . . . . . . . . 55.8 t -73.14 -37.15 52.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 168.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -69.3 -32.3 71.35 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.154 0.981 . . . . 25.0 111.534 176.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.81 -27.33 44.37 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.386 1.074 . . . . 25.0 111.377 177.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.42 -27.56 57.25 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.095 0.855 . . . . 25.0 111.46 175.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' MET . . . . . . . . . . . . . 21.4 mmt -77.04 -26.85 54.11 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.366 1.066 . . . . 25.0 110.971 170.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -77.47 -32.64 54.47 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 123.954 0.901 . . . . 25.0 111.002 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -69.61 -38.71 77.36 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.589 0.756 . . . . 25.0 110.574 175.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.71 -35.95 67.94 Favored 'Isoleucine or valine' 0 C--N 1.344 0.348 0 CA-C-O 118.271 -0.871 . . . . 25.0 109.966 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -68.46 -30.47 69.34 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.1 0.864 . . . . 25.0 112.139 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -83.97 -23.8 30.91 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.901 0.881 . . . . 25.0 112.372 178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -83.86 -22.77 31.58 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.801 0.841 . . . . 25.0 111.755 172.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' MET . . . . . . . . . . . . . 33.9 mmt -82.67 -25.29 33.18 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.66 1.184 . . . . 25.0 111.158 172.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.13 -33.63 63.61 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.792 1.237 . . . . 25.0 110.533 172.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -79.17 -37.28 38.76 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.033 0.933 . . . . 25.0 110.799 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.8 -21.45 62.48 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.089 0.956 . . . . 25.0 112.248 176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -63.32 -29.68 70.95 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.83 0.852 . . . . 25.0 111.443 175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -91.4 -34.23 14.94 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.091 1.356 . . . . 25.0 111.706 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -78.53 -38.2 41.12 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.881 0.873 . . . . 25.0 112.09 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' LEU . . . . . . . . . . . . . 82.5 mt -72.59 -25.54 61.37 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.771 0.828 . . . . 25.0 111.628 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -79.19 -33.5 43.86 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.043 0.937 . . . . 25.0 111.205 174.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -70.61 -22.76 62.51 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.032 0.933 . . . . 25.0 112.066 177.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' LEU . . . . . . . . . . . . . 15.0 tp -76.41 126.34 30.81 Favored 'General case' 0 C--N 1.344 0.342 0 C-N-CA 123.893 0.877 . . . . 25.0 110.287 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.44 -137.21 24.47 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.112 -0.795 . . . . 25.0 111.112 -178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.083 1.353 . . . . 25.0 108.965 -178.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 131' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 N-CA-C 112.075 -0.41 . . . . 25.0 112.075 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 132' ' ' GLY . . . . . . . . . . . . . . . -100.41 -171.42 29.44 Favored Glycine 0 CA--C 1.529 0.964 0 C-N-CA 124.772 1.177 . . . . 25.0 111.47 176.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 133' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.2 -30.51 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.988 0.915 . . . . 25.0 111.981 173.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 134' ' ' ILE . . . . . . . . . . . . . 16.4 pt -143.28 158.76 17.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 125.716 1.606 . . . . 25.0 110.072 -167.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 135' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -70.45 114.63 8.76 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 173.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 136' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -76.81 135.96 38.95 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.342 1.057 . . . . 25.0 109.657 178.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 137' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.13 -41.24 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 124.799 1.24 . . . . 25.0 111.807 -174.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 138' ' ' THR . . . . . . . . . . . . . 70.7 p -97.42 142.45 29.26 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.308 1.043 . . . . 25.0 110.396 178.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 139' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -78.66 -12.05 60.0 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.279 1.032 . . . . 25.0 112.364 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 140' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.27 153.01 44.61 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.925 1.29 . . . . 25.0 111.98 -175.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 141' ' ' ALA . . . . . . . . . . . . . . . -69.81 -19.33 63.48 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.969 1.307 . . . . 25.0 113.961 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 142' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -70.11 -18.85 63.26 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.811 0.844 . . . . 25.0 112.359 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 143' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -77.74 -30.27 51.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.697 1.199 . . . . 25.0 111.761 173.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 144' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -85.03 -22.89 28.85 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.978 0.911 . . . . 25.0 111.783 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 145' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -85.45 -28.24 25.19 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 124.763 1.225 . . . . 25.0 112.194 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 146' ' ' MET . . . . . . . . . . . . . 25.3 ptm -78.29 -17.53 56.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.615 0.766 . . . . 25.0 111.64 174.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 147' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -72.78 -32.37 65.55 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.491 1.116 . . . . 25.0 110.875 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 148' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -69.66 -38.22 77.01 Favored 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.585 1.154 . . . . 25.0 110.895 175.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 149' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -70.08 -41.02 74.64 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.413 0.685 . . . . 25.0 111.229 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 150' ' ' LEU . . . . . . . . . . . . . 57.1 mt -71.88 -27.79 63.09 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.902 0.881 . . . . 25.0 112.071 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 151' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.86 -37.67 76.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.595 1.158 . . . . 25.0 110.918 176.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 152' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -81.81 -24.12 36.09 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.046 0.938 . . . . 25.0 112.075 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 153' ' ' VAL . . . . . . . . . . . . . 38.4 t -72.96 -34.77 47.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 123.7 0.8 . . . . 25.0 109.41 170.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 154' ' ' SER . . . . . . . . . . . . . 22.1 t -74.29 -24.94 59.32 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.418 1.087 . . . . 25.0 112.083 176.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 155' ' ' GLY . . . . . . . . . . . . . . . -83.88 -28.2 35.53 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.195 0.903 . . . . 25.0 112.377 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 156' ' ' ILE . . . . . . . . . . . . . 93.5 mt -86.21 -39.5 13.58 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 118.025 -0.988 . . . . 25.0 109.497 177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 157' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.12 -16.01 15.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 119.106 0.866 . . . . 25.0 111.141 176.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 158' ' ' GLY . . . . . . . . . . . . . . . -80.89 0.83 86.12 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 125.102 1.334 . . . . 25.0 113.186 172.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 159' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -126.9 -28.05 2.97 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.525 1.93 . . . . 25.0 110.535 177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 160' ' ' LEU . . . . . . . . . . . . . 36.9 tp -79.86 -19.89 47.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.177 1.791 . . . . 25.0 111.3 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 161' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -67.55 -30.63 70.32 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.539 1.135 . . . . 25.0 111.456 170.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 162' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 -89.07 -27.21 20.95 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 124.781 1.232 . . . . 25.0 111.32 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 163' ' ' MET . . . . . . . . . . . . . 59.4 ttm -73.28 -34.74 65.95 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.29 1.036 . . . . 25.0 110.767 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 164' ' ' ALA . . . . . . . . . . . . . . . -73.38 -36.3 66.05 Favored 'General case' 0 C--N 1.344 0.33 0 C-N-CA 124.554 1.142 . . . . 25.0 111.368 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 165' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.07 -29.94 58.16 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.957 0.903 . . . . 25.0 111.566 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 166' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -89.84 -29.93 18.27 Favored 'General case' 0 C--N 1.344 0.36 0 C-N-CA 124.696 1.198 . . . . 25.0 112.258 -177.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 167' ' ' MET . . . . . . . . . . . . . 17.3 ptt? -80.74 -21.69 40.9 Favored 'General case' 0 C--N 1.344 0.36 0 CA-C-O 118.615 -0.707 . . . . 25.0 110.943 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 168' ' ' GLY . . . . . . . . . . . . . . . -76.29 -25.07 66.85 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 124.832 1.205 . . . . 25.0 111.688 172.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 169' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -71.57 -41.05 69.51 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.695 1.198 . . . . 25.0 110.19 168.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 170' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -75.21 -26.74 59.18 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.616 0.766 . . . . 25.0 111.649 -178.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 171' ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.01 -42.6 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.277 1.431 . . . . 25.0 109.354 172.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 172' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -76.72 -31.41 57.14 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.799 0.84 . . . . 25.0 112.172 -176.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 173' ' ' THR . . . . . . . . . . . . . 54.6 m -73.63 -38.08 65.15 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 124.223 1.009 . . . . 25.0 110.228 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 174' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -74.37 -27.57 60.72 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 117.632 -1.175 . . . . 25.0 111.738 174.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 175' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -75.74 -31.67 59.68 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.947 1.249 . . . . 25.0 111.038 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 176' ' ' ARG . . . . . . . . . . . . . 44.6 mtm105 -81.18 -15.07 56.8 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.44 1.096 . . . . 25.0 111.588 172.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 177' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -84.47 -34.66 23.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.041 0.936 . . . . 25.0 110.322 168.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 178' ' ' ILE . . . . . . . . . . . . . 38.7 mt -70.89 -35.39 59.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 124.535 1.134 . . . . 25.0 109.689 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 179' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -74.18 -27.6 60.89 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.659 1.184 . . . . 25.0 111.615 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 180' ' ' ARG . . . . . . . . . . . . . 42.1 ttp-105 -82.9 -28.05 30.24 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.588 1.155 . . . . 25.0 111.211 175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 181' ' ' ILE . . . . . . . . . . . . . 67.3 mt -81.44 -22.77 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.243 1.417 . . . . 25.0 110.099 173.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 182' ' ' MET . . . . . . . . . . . . . 24.7 mmm -68.79 -40.79 79.43 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.384 0.993 . . . . 25.0 109.809 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 183' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -70.23 -31.84 69.44 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.205 1.002 . . . . 25.0 111.323 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 184' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -80.66 -31.6 36.32 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.86 0.864 . . . . 25.0 111.423 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 185' ' ' ALA . . . . . . . . . . . . . . . -76.84 -23.39 52.72 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.787 1.235 . . . . 25.0 111.272 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 186' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -77.86 -38.05 46.94 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 123.919 0.888 . . . . 25.0 110.289 174.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 187' ' ' SER . . . . . . . . . . . . . 98.4 p -79.4 -29.19 41.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.762 0.825 . . . . 25.0 112.266 -178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 188' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -77.7 -28.47 50.99 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-O 117.908 -1.044 . . . . 25.0 111.153 171.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 189' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -72.33 -32.71 66.74 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 119.204 0.911 . . . . 25.0 110.371 173.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 190' ' ' THR . . . . . . . . . . . . . 49.7 m -69.59 -42.03 75.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.887 0.875 . . . . 25.0 110.355 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 191' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -73.92 -29.23 61.93 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 118.021 -0.99 . . . . 25.0 112.66 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 192' ' ' ILE . . . . . . . . . . . . . 9.6 tt -91.85 -27.25 4.82 Favored 'Isoleucine or valine' 0 C--N 1.343 0.32 0 CA-C-N 118.941 0.792 . . . . 25.0 112.344 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 193' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -73.86 -28.9 61.82 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.69 0.796 . . . . 25.0 109.951 170.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 194' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -78.31 -32.03 49.1 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.501 1.121 . . . . 25.0 110.886 172.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 195' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.1 65.37 Favored 'General case' 0 C--N 1.346 0.429 0 CA-C-N 119.105 0.866 . . . . 25.0 111.424 176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 196' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -72.9 -33.07 65.78 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.492 1.117 . . . . 25.0 110.758 171.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 197' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -75.47 -28.09 59.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.128 0.971 . . . . 25.0 111.592 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 198' ' ' ARG . . . . . . . . . . . . . 77.1 mtm180 -85.8 -19.98 29.88 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.88 1.672 . . . . 25.0 111.913 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 199' ' ' ALA . . . . . . . . . . . . . . . -75.4 -41.71 55.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 123.225 0.61 . . . . 25.0 109.629 170.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 200' ' ' THR . . . . . . . . . . . . . 73.7 p -81.02 -9.11 59.88 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.544 1.138 . . . . 25.0 112.9 177.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 201' ' ' LYS . . . . . . . . . . . . . 29.1 ttpp -67.0 -26.07 66.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.296 1.038 . . . . 25.0 110.748 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 202' ' ' MET . . . . . . . . . . . . . 78.4 mmm -107.29 6.07 28.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.587 1.555 . . . . 25.0 112.367 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 203' ' ' LEU . . . . . . . . . . . . . 96.1 mt -135.21 161.77 34.43 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.288 1.035 . . . . 25.0 112.496 -172.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 204' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.274 0 C-N-CA 125.402 1.477 . . . . 25.0 112.195 175.815 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 263' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.473 0.72 0 CA-C-O 120.588 0.233 . . . . 25.0 110.846 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 264' ' ' GLY . . . . . . . . . . . . . . . 83.14 174.21 50.23 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.059 0.838 . . . . 25.0 111.601 -176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 265' ' ' GLY . . . . . . . . . . . . . . . -74.56 -9.87 82.36 Favored Glycine 0 CA--C 1.533 1.206 0 CA-C-O 118.564 -1.131 . . . . 25.0 114.108 -175.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 266' ' ' GLY . . . . . . . . . . . . . . . -76.98 135.61 17.07 Favored Glycine 0 CA--C 1.53 0.986 0 CA-C-N 118.528 1.164 . . . . 25.0 110.655 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 267' ' ' GLY . . . . . . . . . . . . . . . -100.93 -172.87 28.99 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.901 1.239 . . . . 25.0 112.561 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 268' ' ' GLY . . . . . . . . . . . . . . . -102.52 -161.04 26.02 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 125.04 1.305 . . . . 25.0 112.59 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 269' ' ' ILE . . . . . . . . . . . . . 19.7 tt -73.32 -27.34 23.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 C-N-CA 125.271 1.428 . . . . 25.0 112.63 -176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 270' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.26 150.22 40.37 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 124.04 0.936 . . . . 25.0 111.058 -175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 271' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -68.35 139.38 55.87 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.192 0.997 . . . . 25.0 109.727 176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 272' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -66.3 145.17 56.04 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.014 0.926 . . . . 25.0 112.15 -175.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 273' ' ' LEU . . . . . . . . . . . . . 48.0 tp -70.87 -20.03 62.56 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.486 1.514 . . . . 25.0 111.6 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 274' ' ' GLY . . . . . . . . . . . . . . . 148.96 -176.96 27.5 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.532 1.539 . . . . 25.0 111.073 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 275' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -120.14 175.1 6.1 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.567 1.147 . . . . 25.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 276' ' ' ILE . . . . . . . . . . . . . 14.5 tt -161.66 121.66 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 C-N-CA 124.931 1.292 . . . . 25.0 109.418 -172.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 277' ' ' CYS . . . . . . . . . . . . . 9.5 t -99.14 149.16 23.33 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 125.421 1.489 . . . . 25.0 110.216 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 278' ' ' PHE . . . . . . . . . . . . . 26.0 p90 -159.44 171.99 18.72 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.104 1.762 . . . . 25.0 109.178 176.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 279' ' ' SER . . . . . . . . . . . . . 29.5 t -151.26 146.58 26.15 Favored 'General case' 0 C--O 1.233 0.201 0 C-N-CA 124.353 1.061 . . . . 25.0 110.796 -169.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 280' ' ' LEU . . . . . . . . . . . . . 5.1 mp -141.29 156.09 45.91 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.751 1.221 . . . . 25.0 110.75 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 281' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -139.93 165.23 27.88 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.666 1.987 . . . . 25.0 108.106 173.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 282' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -128.51 145.82 51.0 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.54 0.736 . . . . 25.0 110.375 167.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 283' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.44 123.56 28.1 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 125.319 1.448 . . . . 25.0 107.147 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 284' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.03 -26.18 3.05 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 123.084 2.523 . . . . 25.0 113.492 -174.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 285' ' ' THR . . . . . . . . . . . . . 78.1 p -85.06 -35.52 21.8 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.683 0.793 . . . . 25.0 111.864 -176.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 286' ' ' ALA . . . . . . . . . . . . . . . -95.98 -15.22 22.45 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.801 1.24 . . . . 25.0 112.22 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 287' ' ' GLY . . . . . . . . . . . . . . . 75.1 8.46 83.22 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-O 118.736 -1.036 . . . . 25.0 112.87 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 288' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -76.82 116.44 17.49 Favored 'General case' 0 C--N 1.343 0.311 0 CA-C-N 118.877 1.339 . . . . 25.0 110.854 -172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 289' ' ' LEU . . . . . . . . . . . . . 38.6 tp -68.85 140.01 55.2 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 147.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 290' ' ' THR . . . . . . . . . . . . . 37.4 m -116.99 141.57 48.07 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.894 1.278 . . . . 25.0 107.679 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 291' ' ' VAL . . . . . . . . . . . . . 26.9 t -143.22 136.27 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 124.96 1.304 . . . . 25.0 108.22 -176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 292' ' ' VAL . . . . . . . . . . . . . 9.3 p -162.67 146.57 3.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 125.213 1.405 . . . . 25.0 109.252 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 293' ' ' ILE . . . . . . . . . . . . . 52.8 mt -105.71 125.62 61.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 294' ' ' LEU . . . . . . . . . . . . . 8.0 mp -86.07 -70.88 0.57 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.646 1.179 . . . . 25.0 110.203 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 295' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -141.9 176.96 8.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.306 1.042 . . . . 25.0 111.105 -168.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 296' ' ' ALA . . . . . . . . . . . . . . . -167.72 142.88 3.81 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 125.927 1.691 . . . . 25.0 110.102 176.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 297' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -83.38 -27.22 29.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.313 1.045 . . . . 25.0 111.109 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 298' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -81.78 151.83 27.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.789 1.235 . . . . 25.0 110.571 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 299' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -151.88 144.09 23.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 125.377 1.471 . . . . 25.0 109.737 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 300' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -69.38 159.13 33.75 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.97 0.908 . . . . 25.0 110.996 -172.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 301' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -103.55 134.53 46.75 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.098 1.359 . . . . 25.0 109.707 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 302' ' ' MET . . . . . . . . . . . . . 22.8 ttt -75.85 136.66 40.18 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 123.718 0.807 . . . . 25.0 110.098 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 303' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -71.26 -44.26 65.62 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.214 1.006 . . . . 25.0 112.811 -167.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 304' ' ' VAL . . . . . . . . . . . . . 8.6 p -77.81 -19.57 13.85 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 123.842 0.857 . . . . 25.0 111.825 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 305' ' ' GLY . . . . . . . . . . . . . . . 140.16 147.37 5.0 Favored Glycine 0 C--N 1.344 0.987 0 C-N-CA 125.074 1.321 . . . . 25.0 110.837 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 306' ' ' GLY . . . . . . . . . . . . . . . 100.1 -161.82 19.19 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.763 1.173 . . . . 25.0 111.188 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 307' ' ' LEU . . . . . . . . . . . . . 5.3 tp -137.86 120.87 16.63 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.956 0.902 . . . . 25.0 108.919 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 308' ' ' SER . . . . . . . . . . . . . 81.6 p -96.07 -148.15 0.3 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.557 1.543 . . . . 25.0 110.95 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 309' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -137.96 150.71 68.34 Favored Pre-proline 0 CA--C 1.536 0.442 0 C-N-CA 125.088 1.355 . . . . 25.0 110.324 -165.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 310' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -78.49 138.89 15.85 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 123.011 2.474 . . . . 25.0 111.227 -170.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 311' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -100.68 133.72 44.71 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 107.715 -1.217 . . . . 25.0 107.715 159.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 312' ' ' VAL . . . . . . . . . . . . . 1.7 m -139.32 123.08 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 C-N-CA 126.126 1.77 . . . . 25.0 107.673 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 313' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -115.04 139.0 50.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 25.0 109.635 -170.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 314' ' ' ILE . . . . . . . . . . . . . 26.6 pt -92.56 140.34 16.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 124.35 1.06 . . . . 25.0 109.66 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 315' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -138.79 121.78 16.71 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.339 1.456 . . . . 25.0 108.34 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 316' ' ' LEU . . . . . . . . . . . . . 21.8 tp -84.43 143.17 29.59 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.951 0.9 . . . . 25.0 109.119 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 317' ' ' MET . . . . . . . . . . . . . 59.0 mtt -145.85 172.29 13.55 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.79 1.636 . . . . 25.0 109.636 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 318' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -165.89 114.88 0.98 Allowed 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.551 1.54 . . . . 25.0 107.707 -175.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 319' ' ' ASN . . . . . . . . . . . . . 11.3 t30 64.52 27.07 13.43 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.456 1.502 . . . . 25.0 112.073 -178.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 320' ' ' GLY . . . . . . . . . . . . . . . 87.08 -21.67 18.98 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.445 1.498 . . . . 25.0 113.007 -178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 321' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -78.42 148.63 33.54 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.64 1.576 . . . . 25.0 109.973 178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 322' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.93 141.54 58.67 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.989 0.915 . . . . 25.0 110.665 175.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 323' ' ' LEU . . . . . . . . . . . . . 24.8 tp -120.22 -59.44 1.78 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.168 0.987 . . . . 25.0 109.165 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 324' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -147.58 -179.62 7.0 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.184 1.394 . . . . 25.0 110.639 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 325' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.71 152.43 11.74 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.766 1.626 . . . . 25.0 110.769 177.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 326' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -145.25 139.29 27.03 Favored 'General case' 0 C--N 1.343 0.293 0 C-N-CA 124.74 1.216 . . . . 25.0 110.302 -179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 327' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -77.63 150.11 34.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.434 1.494 . . . . 25.0 110.369 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 328' ' ' THR . . . . . . . . . . . . . 9.7 p -125.73 147.07 49.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.567 1.147 . . . . 25.0 108.851 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 329' ' ' THR . . . . . . . . . . . . . 67.6 p -80.83 148.5 29.95 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.254 0.621 . . . . 25.0 110.349 177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 330' ' ' ILE . . . . . . . . . . . . . 30.5 pt -106.29 162.3 5.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.62 0.768 . . . . 25.0 110.855 172.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 331' ' ' LYS . . . . . . . . . . . . . 33.0 tttp -124.27 135.86 53.71 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.668 1.587 . . . . 25.0 108.072 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 332' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -83.88 143.24 30.02 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 121.139 0.495 . . . . 25.0 111.285 -178.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 333' ' ' ASN . . . . . . . . . . . . . 48.8 t30 59.85 22.48 11.43 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.439 2.295 . . . . 25.0 113.051 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 334' ' ' THR . . . . . . . . . . . . . 4.6 t -76.39 157.86 31.94 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.681 1.192 . . . . 25.0 111.731 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 335' ' ' LEU . . . . . . . . . . . . . 10.5 mp -78.69 -47.7 16.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.5 1.12 . . . . 25.0 109.73 175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 336' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 -155.69 159.59 31.5 Favored Pre-proline 0 CA--C 1.541 0.631 0 C-N-CA 126.104 1.762 . . . . 25.0 110.096 -175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 337' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -58.75 140.03 93.28 Favored 'Trans proline' 0 C--N 1.353 0.774 0 C-N-CA 123.568 2.846 . . . . 25.0 112.741 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 338' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -157.95 151.74 23.9 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.954 1.302 . . . . 25.0 109.775 177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 339' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -139.12 165.59 26.74 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.105 0.962 . . . . 25.0 111.764 -165.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 340' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -64.13 -31.27 72.4 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.926 1.29 . . . . 25.0 111.42 172.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 341' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -169.04 158.0 8.24 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.237 1.815 . . . . 25.0 110.17 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 342' ' ' SER . . . . . . . . . . . . . 67.6 m -72.07 139.74 48.6 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.683 0.793 . . . . 25.0 110.001 174.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 343' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -76.29 160.87 29.23 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.738 1.215 . . . . 25.0 110.515 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 344' ' ' SER . . . . . . . . . . . . . 50.7 m -150.79 146.08 26.15 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.975 0.91 . . . . 25.0 110.829 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 345' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -120.7 145.59 47.32 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.007 1.723 . . . . 25.0 108.681 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -83.08 122.23 28.08 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 171.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 347' ' ' VAL . . . . . . . . . . . . . 70.9 t -137.44 122.24 12.41 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 125.194 1.398 . . . . 25.0 108.081 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 348' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.38 144.65 36.95 Favored 'Trans proline' 0 C--N 1.35 0.623 0 C-N-CA 122.898 2.399 . . . . 25.0 110.48 177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 349' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -72.95 -10.68 60.07 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.907 0.883 . . . . 25.0 112.435 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 350' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -75.48 -23.92 56.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.631 1.573 . . . . 25.0 111.438 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 351' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -121.27 2.53 10.32 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.404 1.481 . . . . 25.0 111.918 -177.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 352' ' ' ILE . . . . . . . . . . . . . 9.6 tt -65.68 -26.08 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 120.437 1.471 . . . . 25.0 113.143 -169.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 353' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -69.19 -41.62 76.9 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.337 1.055 . . . . 25.0 110.58 171.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 354' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -79.25 -14.7 58.87 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.138 1.775 . . . . 25.0 112.973 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 355' ' ' VAL . . . . . . . . . . . . . 36.4 t -86.38 154.12 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 126.339 1.855 . . . . 25.0 108.895 175.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 356' ' ' GLN . . . . . 0.502 ' HB3' ' H ' ' E' ' 380' ' ' TYR . 12.7 pt20 -159.0 151.39 21.45 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.501 1.521 . . . . 25.0 109.935 -172.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 357' ' ' VAL . . . . . . . . . . . . . 53.2 t -120.16 129.21 75.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.104 0.961 . . . . 25.0 109.009 178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 358' ' ' VAL . . . . . . . . . . . . . 91.5 t -105.31 131.96 53.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 C-N-CA 125.943 1.697 . . . . 25.0 107.327 170.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 359' ' ' VAL . . . . . . . . . . . . . 59.0 t -109.66 102.91 14.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 N-CA-C 106.913 -1.514 . . . . 25.0 106.913 171.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 360' ' ' THR . . . . . . . . . . . . . 9.0 t -87.37 162.89 17.08 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.569 1.147 . . . . 25.0 110.542 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 361' ' ' VAL . . . . . . . . . . . . . 6.4 t -122.4 143.24 35.81 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 126.063 1.745 . . . . 25.0 107.568 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 362' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -168.03 -169.06 1.06 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.215 1.406 . . . . 25.0 111.77 -173.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 363' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -113.07 137.7 51.02 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.441 1.897 . . . . 25.0 109.146 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 364' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -71.04 -6.82 41.95 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.422 1.489 . . . . 25.0 113.106 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 365' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -61.84 138.21 58.32 Favored 'General case' 0 C--N 1.345 0.393 0 C-N-CA 125.387 1.475 . . . . 25.0 110.567 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 366' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.65 -8.11 29.55 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.887 1.275 . . . . 25.0 113.095 -172.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 367' ' ' ILE . . . . . . . . . . . . . 69.6 mt -80.24 121.65 34.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 118.98 0.809 . . . . 25.0 109.995 -170.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 368' ' ' GLY . . . . . . . . . . . . . . . 61.88 -142.51 48.18 Favored Glycine 0 C--N 1.343 0.921 0 C-N-CA 124.844 1.212 . . . . 25.0 113.872 159.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 369' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -65.08 145.96 55.63 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.072 1.349 . . . . 25.0 110.745 177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 370' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -133.08 134.02 43.75 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.098 1.359 . . . . 25.0 108.992 175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 371' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -102.31 139.84 37.39 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.867 1.267 . . . . 25.0 109.369 174.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 372' ' ' ALA . . . . . . . . . . . . . . . -78.11 127.75 32.77 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 123.243 0.617 . . . . 25.0 109.597 174.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 373' ' ' ILE . . . . . . . . . . . . . 97.4 mt -75.31 -30.93 23.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.216 1.406 . . . . 25.0 109.876 178.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 374' ' ' GLY . . . . . . . . . . . . . . . 179.43 -176.48 47.76 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.469 1.033 . . . . 25.0 112.455 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 375' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -154.0 145.52 23.18 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.822 1.649 . . . . 25.0 110.245 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 376' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.14 167.9 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 126.506 1.922 . . . . 25.0 108.273 163.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 377' ' ' PHE . . . . . . . . . . . . . 54.3 p90 -161.12 152.56 19.09 Favored 'General case' 0 C--N 1.341 0.208 0 CA-C-O 121.156 0.503 . . . . 25.0 111.874 -166.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 378' ' ' VAL . . . . . . . . . . . . . 17.7 m -148.39 148.91 15.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 126.255 1.822 . . . . 25.0 109.317 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 379' ' ' GLY . . . . . 0.468 ' HA2' ' CG ' ' E' ' 390' ' ' TRP . . . 122.03 -132.21 8.78 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 123.823 0.725 . . . . 25.0 113.534 171.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 380' ' ' TYR . . . . . 0.502 ' H ' ' HB3' ' E' ' 356' ' ' GLN . 42.7 t80 -57.8 133.7 55.63 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.624 1.57 . . . . 25.0 112.561 -170.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 381' ' ' ASN . . . . . . . . . . . . . 4.6 t30 70.53 1.0 3.47 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.832 2.053 . . . . 25.0 112.932 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 382' ' ' SER . . . . . . . . . . . . . 51.5 m -73.23 168.25 19.53 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.149 1.379 . . . . 25.0 111.349 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 383' ' ' THR . . . . . . . . . . . . . 67.3 p -142.57 156.09 45.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.3 1.44 . . . . 25.0 109.67 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 384' ' ' GLY . . . . . . . . . . . . . . . 73.31 -135.79 21.49 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 110.704 -0.958 . . . . 25.0 110.704 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 385' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.15 68.39 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.839 1.256 . . . . 25.0 112.982 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 386' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -76.62 -20.06 57.14 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.458 1.103 . . . . 25.0 111.507 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 387' ' ' LEU . . . . . . . . . . . . . 40.5 tp -96.22 -32.12 12.61 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.011 0.924 . . . . 25.0 111.178 173.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 388' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -80.9 -13.39 58.96 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.34 1.056 . . . . 25.0 112.793 -174.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 389' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -71.81 -41.62 68.0 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 166.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 390' ' ' TRP . . . . . 0.468 ' CG ' ' HA2' ' E' ' 379' ' ' GLY . 65.7 t-105 -81.38 -40.4 23.55 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 124.314 1.045 . . . . 25.0 112.964 -171.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 391' ' ' SER . . . . . . . . . . . . . 69.4 m -87.91 -8.0 56.39 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.323 1.049 . . . . 25.0 113.465 -168.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 392' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.53 -43.08 40.76 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.104 0.866 . . . . 25.0 111.124 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 393' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -73.64 -9.78 59.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.986 0.914 . . . . 25.0 112.882 174.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 394' ' ' LEU . . . . . . . . . . . . . 89.9 mt -101.93 -15.66 16.77 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.896 1.279 . . . . 25.0 111.38 176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 395' ' ' ALA . . . . . . . . . . . . . . . -79.79 -14.87 58.39 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.443 1.097 . . . . 25.0 111.67 168.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 396' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -158.6 116.4 1.73 Allowed Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 124.946 1.298 . . . . 25.0 108.312 175.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 397' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.46 152.68 43.94 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.284 2.656 . . . . 25.0 111.537 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 398' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 71.47 -3.55 2.09 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.862 2.465 . . . . 25.0 113.111 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 399' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -88.96 119.53 69.86 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 124.126 0.97 . . . . 25.0 108.739 176.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 400' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -79.49 167.5 20.96 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 123.441 2.76 . . . . 25.0 110.98 175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 401' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -161.91 137.5 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.299 1.04 . . . . 25.0 109.796 -176.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 402' ' ' ALA . . . . . . . . . . . . . . . -138.69 151.01 46.8 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 125.224 1.41 . . . . 25.0 110.998 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 403' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -174.52 157.93 2.71 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.464 1.506 . . . . 25.0 111.925 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 404' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -85.77 159.0 19.86 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.064 1.745 . . . . 25.0 112.154 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 405' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -150.02 148.18 28.73 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.669 1.987 . . . . 25.0 109.538 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 406' ' ' THR . . . . . . . . . . . . . 45.6 m -95.07 137.12 34.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.294 1.038 . . . . 25.0 110.022 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 407' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.87 144.06 57.36 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.203 1.401 . . . . 25.0 111.804 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 408' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -140.88 161.54 37.56 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.655 1.582 . . . . 25.0 110.395 -178.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 409' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.22 149.93 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.564 0 C-N-CA 125.129 1.372 . . . . 25.0 110.362 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 410' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.49 -39.82 92.34 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.67 1.188 . . . . 25.0 112.11 -178.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 411' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -77.02 -23.48 52.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.851 1.26 . . . . 25.0 111.805 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 412' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -74.95 -32.24 61.69 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.99 0.916 . . . . 25.0 110.921 176.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 413' ' ' VAL . . . . . . . . . . . . . 82.2 t -85.4 -23.37 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.762 1.225 . . . . 25.0 110.454 175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 414' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -69.43 -30.52 68.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.275 0.943 . . . . 25.0 111.193 172.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 415' ' ' ALA . . . . . . . . . . . . . . . -73.4 -22.1 60.32 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.41 1.084 . . . . 25.0 112.078 174.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 416' ' ' MET . . . . . . . . . . . . . 15.4 tpt -85.35 -31.63 22.88 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.224 1.01 . . . . 25.0 111.207 174.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 417' ' ' LEU . . . . . . . . . . . . . 79.8 mt -78.86 -2.4 39.58 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.438 1.495 . . . . 25.0 112.063 174.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 418' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.292 1.037 . . . . 25.0 112.585 174.69 . . . . . . . . 0 0 . 1 stop_ save_