data_6obi_residue ############################ # Computer software used # ############################ 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 6obi _Structure_validation_residue.Date_analyzed 2019-06-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.438 0.161 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.594 0.235 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.013 -0.041 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 . . . . . 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 . . . . . 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 tttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -139.44 154.72 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.04 -39.34 89.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.47 -41.4 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -76.08 5.43 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 76.8 mt -63.86 -46.15 95.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 117.998 0.363 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -141.2 7.19 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.723 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 80.21 54.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.562 0.539 . . . . 0.0 110.983 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.114 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -61.93 -41.05 97.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.48 0.488 . . . . 0.0 110.234 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.52 -40.58 95.16 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.533 0.521 . . . . 0.0 110.495 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.59 -42.7 95.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 92.7 mtt-85 -77.92 9.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 64' ' ' ARG . 7.5 tp 50.46 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 124.066 0.854 . . . . 0.0 111.611 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.8 -28.41 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.067 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.88 -39.27 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.754 0.659 . . . . 0.0 110.355 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.569 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.29 -42.07 99.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -62.66 -40.71 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -64.17 -42.02 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' O ' HG12 ' A' ' 65' ' ' ILE . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.68 6.59 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 61' ' ' ASP . 23.9 mm -109.84 0.12 9.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 50.54 72.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.159 0.504 . . . . 0.0 110.021 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.14 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.197 -179.733 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -40.55 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.41 -38.91 92.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.707 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.06 -44.0 97.02 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.42 0.45 . . . . 0.0 110.551 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -140.33 112.47 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ALA . 90.9 mt -62.62 -46.6 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.681 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 35.46 -91.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.896 1.373 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -147.83 148.87 31.36 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.387 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 54.45 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.495 0.497 . . . . 0.0 110.492 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -64.02 -37.53 87.78 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -63.09 -40.61 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.56 6.56 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 93.3 mt -101.89 -49.76 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.9 -39.65 93.87 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.676 0.61 . . . . 0.0 110.369 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.09 147.23 36.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.498 0.499 . . . . 0.0 110.278 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.411 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.24 130.65 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.452 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -65.85 -36.93 84.84 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.639 0.587 . . . . 0.0 110.589 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 59.96 17.71 6.88 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.65 0.594 . . . . 0.0 111.018 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.418 ' O ' HG21 ' A' ' 65' ' ' ILE . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -77.71 6.41 7.44 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HG21 ' O ' ' A' ' 62' ' ' GLU . 6.0 tp -137.26 5.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 45.38 43.03 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.91 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.573 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.776 -179.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.75 -41.48 97.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.608 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.75 -40.81 97.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -40.67 98.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 75.4 mtm180 -78.04 10.59 2.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 64' ' ' ARG . 26.3 pt 48.43 33.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.554 0.534 . . . . 0.0 111.262 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 48.8 26.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 110.273 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.26 154.24 37.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 110.526 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.574 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -62.23 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -63.85 -40.57 96.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.224 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -63.62 -42.45 98.2 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.491 0.494 . . . . 0.0 110.543 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -78.83 7.68 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.3 mt 63.37 64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 65.91 47.75 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.459 . . . . 0.0 110.865 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 47.1 53.71 10.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.582 -1.199 . . . . 0.0 111.434 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -140.5 157.19 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.49 0.494 . . . . 0.0 110.269 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -139.01 158.0 44.98 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.681 0.613 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -57.55 -19.45 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.782 0.676 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -79.1 6.4 9.63 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.4 mm 48.68 35.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.482 0.182 . . . . 0.0 110.867 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 40.73 29.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.473 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.104 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.537 -1.22 . . . . 0.0 110.208 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.76 -39.7 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -63.0 -41.54 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.06 -40.43 94.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HB ' ' A' ' 65' ' ' ILE . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 65' ' ' ILE . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.4 3.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 63' ' ' LYS . 84.6 mt -67.19 -42.03 87.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -57.6 -39.08 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.391 0.432 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.14 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.589 0.556 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.278 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.438 0.161 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 10' ' ' LEU . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 6' ' ' GLU . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.594 0.235 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.013 -0.041 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 . . . . . 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 . . . . . 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 tttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -139.44 154.72 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.04 -39.34 89.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.47 -41.4 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 10' ' ' LEU . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 6' ' ' GLU . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -76.08 5.43 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 76.8 mt -63.86 -46.15 95.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 117.998 0.363 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 58.1 mt-30 -141.2 7.19 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.723 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 66' ' ' GLN . . . 80.21 54.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.562 0.539 . . . . 0.0 110.983 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.114 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -61.93 -41.05 97.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.48 0.488 . . . . 0.0 110.234 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.52 -40.58 95.16 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.533 0.521 . . . . 0.0 110.495 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.59 -42.7 95.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 65' ' ' ILE . 92.7 mtt-85 -77.92 9.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 64' ' ' ARG . 7.5 tp 50.46 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 124.066 0.854 . . . . 0.0 111.611 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.8 -28.41 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.067 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -62.88 -39.27 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.754 0.659 . . . . 0.0 110.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.569 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.29 -42.07 99.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -62.66 -40.71 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -64.17 -42.02 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' O ' HG12 ' A' ' 65' ' ' ILE . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.68 6.59 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' ILE . 23.9 mm -109.84 0.12 9.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 50.54 72.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.159 0.504 . . . . 0.0 110.021 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.14 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.197 -179.733 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -40.55 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.41 -38.91 92.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.707 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.06 -44.0 97.02 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.42 0.45 . . . . 0.0 110.551 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -140.33 112.47 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ALA . 90.9 mt -62.62 -46.6 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.681 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 35.46 -91.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.896 1.373 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -147.83 148.87 31.36 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.387 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 54.45 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.495 0.497 . . . . 0.0 110.492 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -64.02 -37.53 87.78 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -63.09 -40.61 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 65' ' ' ILE . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.56 6.56 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 62' ' ' GLU . 93.3 mt -101.89 -49.76 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.9 -39.65 93.87 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.676 0.61 . . . . 0.0 110.369 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.09 147.23 36.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.498 0.499 . . . . 0.0 110.278 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.411 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -69.24 130.65 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.452 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -65.85 -36.93 84.84 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.639 0.587 . . . . 0.0 110.589 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 59.96 17.71 6.88 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.65 0.594 . . . . 0.0 111.018 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 65' ' ' ILE . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -77.71 6.41 7.44 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 62' ' ' GLU . 6.0 tp -137.26 5.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 45.38 43.03 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.91 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.573 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.776 -179.807 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.75 -41.48 97.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.608 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.75 -40.81 97.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -40.67 98.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 75.4 mtm180 -78.04 10.59 2.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 64' ' ' ARG . 26.3 pt 48.43 33.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.554 0.534 . . . . 0.0 111.262 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 48.8 26.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 110.273 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.26 154.24 37.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 110.526 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.574 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -62.23 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -63.85 -40.57 96.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.224 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -63.62 -42.45 98.2 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.491 0.494 . . . . 0.0 110.543 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -78.83 7.68 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.3 mt 63.37 64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 65.91 47.75 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.459 . . . . 0.0 110.865 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 47.1 53.71 10.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.582 -1.199 . . . . 0.0 111.434 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -140.5 157.19 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.49 0.494 . . . . 0.0 110.269 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -139.01 158.0 44.98 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.681 0.613 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -57.55 -19.45 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.782 0.676 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 65' ' ' ILE . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -79.1 6.4 9.63 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 29.4 mm 48.68 35.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.482 0.182 . . . . 0.0 110.867 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 40.73 29.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.473 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.104 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.537 -1.22 . . . . 0.0 110.208 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.76 -39.7 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -63.0 -41.54 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.06 -40.43 94.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.4 3.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 84.6 mt -67.19 -42.03 87.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -57.6 -39.08 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.391 0.432 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.14 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.589 0.556 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.278 -179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.438 0.161 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 10' ' ' LEU . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 6' ' ' GLU . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 . . . . . 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 . . . . . 0 C--O 1.232 0.171 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 . . . . . 0 C--O 1.231 0.118 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.594 0.235 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 . . . . . 0 C--O 1.23 0.062 0 N-CA-C 110.555 -0.165 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 . . . . . 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.013 -0.041 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 . . . . . 0 C--O 1.232 0.137 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 . . . . . 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 . . . . . 0 C--O 1.232 0.17 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 . . . . . 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 tttp . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -139.44 154.72 47.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -61.04 -39.34 89.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -63.47 -41.4 98.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -64.77 -41.61 95.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.032 0.444 . . . . 0.0 109.955 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 10' ' ' LEU . 75.6 mm-40 -61.22 -42.42 98.57 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 118.778 -1.169 . . . . 0.0 109.477 -178.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.33 89.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.336 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -61.64 -42.65 99.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.344 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -62.87 -42.74 99.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.455 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' O ' ' A' ' 6' ' ' GLU . 6.8 mp -61.85 -38.57 88.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.333 178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -62.83 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.19 -41.62 99.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.926 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.3 mt -62.02 -43.19 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.84 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.67 -40.24 94.26 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.303 0.241 . . . . 0.0 110.633 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.69 -42.29 98.03 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 122.672 0.389 . . . . 0.0 111.594 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -62.75 -42.23 99.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.485 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.9 mtt -61.73 -40.26 94.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.128 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -62.28 -42.75 99.62 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -62.45 -42.65 99.62 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.32 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -62.82 -42.05 99.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.051 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -61.93 -42.53 99.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.38 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.53 -42.14 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.724 0.297 . . . . 0.0 110.793 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 65.7 ttt-85 -61.95 -42.48 99.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.037 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -62.72 -42.53 99.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.338 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -62.26 -42.55 99.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.081 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -62.62 -43.24 99.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.883 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -62.85 -41.86 99.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.1 tm-20 -62.28 -42.97 99.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.037 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -62.2 -42.54 99.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.898 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -62.58 -42.36 99.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.482 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.56 -42.27 99.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.368 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -62.32 -43.59 98.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.954 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -62.41 -42.62 99.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.049 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -61.84 -42.72 99.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.079 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.95 -42.01 99.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.743 0.306 . . . . 0.0 110.803 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -62.9 -43.12 99.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.72 -42.5 99.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.056 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -62.15 -43.91 97.79 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.89 -42.36 97.81 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.434 -0.507 . . . . 0.0 109.933 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.4 ttm -61.08 -42.24 98.14 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.26 -42.05 98.99 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.273 0.358 . . . . 0.0 110.499 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.63 -43.27 99.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.046 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.2 -41.61 98.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.168 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 54.2 mtt -61.91 -42.24 98.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.122 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.45 -41.73 98.95 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.61 99.28 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.35 -42.71 99.13 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -179.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -62.63 -42.44 99.59 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -61.79 -43.02 99.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.064 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.98 -42.77 99.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.212 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -62.18 -41.76 98.64 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.976 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -61.78 -41.42 97.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.697 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -62.66 -43.16 99.51 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -62.4 -41.35 98.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.442 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -61.62 -43.18 99.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.071 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.13 -42.43 99.23 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 122.692 0.397 . . . . 0.0 109.958 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.84 -42.8 99.88 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.586 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -62.87 -42.52 99.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.647 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.31 -41.62 98.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.135 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -62.53 -41.63 98.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.222 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.47 -40.03 95.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.712 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 99.0 mt-10 -64.11 -41.77 97.12 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 123.581 0.752 . . . . 0.0 112.479 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -61.54 -41.55 97.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.655 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -76.08 5.43 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.535 -0.866 . . . . 0.0 111.08 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.591 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 76.8 mt -63.86 -46.15 95.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 117.998 0.363 . . . . 0.0 110.436 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.523 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 58.1 mt-30 -141.2 7.19 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.723 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 66' ' ' GLN . . . 80.21 54.83 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 O-C-N 123.562 0.539 . . . . 0.0 110.983 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.114 179.369 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 65.5 tttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -61.93 -41.05 97.5 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.48 0.488 . . . . 0.0 110.234 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -61.52 -40.58 95.16 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.533 0.521 . . . . 0.0 110.495 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -64.59 -42.7 95.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.523 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -62.02 -42.41 99.14 Favored 'General case' 0 C--N 1.33 -0.255 0 O-C-N 123.473 0.483 . . . . 0.0 110.116 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -61.14 -42.32 98.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.702 -1.136 . . . . 0.0 109.828 -179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.71 -41.3 90.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.696 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -61.92 -43.21 99.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.818 0.342 . . . . 0.0 110.233 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -63.04 -42.78 99.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.239 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.0 mt -61.87 -38.42 88.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.081 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -62.7 -42.36 99.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -63.09 -41.76 99.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.436 0.46 . . . . 0.0 111.238 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.57 -42.82 97.36 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 115.12 -0.946 . . . . 0.0 110.103 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -61.79 -40.24 94.53 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 122.424 0.29 . . . . 0.0 110.713 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.48 -41.99 98.57 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -62.93 -42.25 99.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.961 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.9 ttt -61.57 -40.6 95.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.486 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -62.07 -42.55 99.31 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.023 0.202 . . . . 0.0 110.655 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -62.4 -42.82 99.72 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -62.66 -42.01 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.105 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -61.7 -42.66 99.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.034 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -62.48 -42.11 99.26 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.271 0.357 . . . . 0.0 110.252 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -61.78 -42.41 98.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.4 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -62.52 -42.37 99.47 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.643 0.589 . . . . 0.0 110.18 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -62.4 -42.69 99.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.066 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.1 tp10 -62.52 -43.41 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.114 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -62.43 -41.93 99.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.392 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 43.2 tp10 -62.07 -42.84 99.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.048 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -62.16 -42.38 99.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.346 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -62.49 -42.54 99.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.019 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.69 -42.51 99.67 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.257 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mmt-85 -62.58 -43.43 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.569 0.543 . . . . 0.0 110.105 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.59 -42.54 99.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.092 179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -62.11 -42.61 99.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.018 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.83 -42.35 99.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.733 0.301 . . . . 0.0 110.717 179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -63.17 -43.45 98.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -62.84 -42.76 99.87 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.715 0.634 . . . . 0.0 110.158 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -62.42 -43.76 98.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.557 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -61.22 -42.25 98.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.813 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 59.3 ttm -61.54 -42.03 98.23 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.4 tppt? -62.61 -42.44 99.58 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.226 0.328 . . . . 0.0 110.362 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.228 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -62.69 -41.73 99.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.118 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.3 mmt -61.81 -42.25 98.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.004 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.61 99.25 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -61.12 -42.68 98.97 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -62.21 -41.85 98.76 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.997 -0.371 . . . . 0.0 109.997 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.93 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.734 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.6 tm0? -63.28 -42.95 99.15 Favored 'General case' 0 C--N 1.329 -0.284 0 O-C-N 123.555 0.535 . . . . 0.0 110.152 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.1 -41.72 98.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.102 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -62.02 -41.61 98.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.545 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -62.73 -43.14 99.56 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -62.22 -41.93 98.84 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.35 0.406 . . . . 0.0 110.079 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -61.65 -43.11 99.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.873 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.19 -42.31 99.17 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 122.749 0.42 . . . . 0.0 109.92 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.13 -43.12 99.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.722 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 27.5 ttp85 -62.63 -42.11 99.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.566 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -62.19 -41.75 98.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.962 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -62.18 -41.92 98.78 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.4 0.438 . . . . 0.0 111.079 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . 75.4 m-20 -61.86 -40.77 96.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.8 -41.94 95.42 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 123.185 0.594 . . . . 0.0 111.979 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.29 -41.54 97.15 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.62 -176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.673 ' O ' HG22 ' A' ' 65' ' ' ILE . 92.7 mtt-85 -77.92 9.86 3.27 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.33 -0.948 . . . . 0.0 111.564 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.673 HG22 ' O ' ' A' ' 64' ' ' ARG . 7.5 tp 50.46 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 124.066 0.854 . . . . 0.0 111.611 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -100.8 -28.41 12.82 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.485 -0.486 . . . . 0.0 111.067 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.668 ' HB2' ' HB3' ' A' ' 61' ' ' ASP . . . -62.88 -39.27 93.95 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.754 0.659 . . . . 0.0 110.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.569 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.8 tptp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -63.29 -42.07 99.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.798 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -62.66 -40.71 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.516 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mt-10 -64.17 -42.02 96.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.408 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -63.39 -43.34 97.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.387 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -60.92 -42.32 97.9 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 118.762 -1.175 . . . . 0.0 109.62 -179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.26 88.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.179 -178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -62.29 -43.04 99.74 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.03 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.4 mmt-85 -63.49 -43.14 98.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.592 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.37 -38.66 90.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.942 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -63.23 -42.56 99.24 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.152 0.283 . . . . 0.0 111.348 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.8 mmt-85 -62.91 -41.13 99.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.847 0.356 . . . . 0.0 111.1 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.24 -43.11 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.969 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -61.67 -40.11 93.78 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 122.388 0.275 . . . . 0.0 110.594 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -63.75 -42.04 97.91 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 122.849 0.46 . . . . 0.0 111.519 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.75 -42.32 99.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.146 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 64.6 ttp -61.81 -40.47 95.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.761 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -62.18 -42.59 99.42 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -62.31 -42.56 99.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.183 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.87 -42.36 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.885 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.8 -42.84 99.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.981 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -62.55 -41.98 99.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.707 0.289 . . . . 0.0 110.703 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -62.14 -42.56 99.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 ttp85 -62.34 -42.72 99.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.938 179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -61.99 -42.68 99.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.043 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 -62.67 -43.22 99.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.051 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.389 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -62.26 -42.85 99.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.95 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -62.21 -42.35 99.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.273 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.81 -42.28 99.66 Favored 'General case' 0 C--N 1.329 -0.285 0 O-C-N 123.471 0.482 . . . . 0.0 110.05 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.1 mmt85 -62.43 -42.57 99.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.491 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -62.36 -43.0 99.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.792 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 mmmm -62.59 -42.33 99.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.603 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -61.86 -42.34 98.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.065 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.99 -42.31 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.744 0.306 . . . . 0.0 110.921 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -63.42 -43.34 97.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.049 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -62.46 -42.57 99.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.338 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 47.0 mtt85 -62.34 -43.62 98.39 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.922 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.88 -42.12 97.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.387 -0.525 . . . . 0.0 109.634 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mmm -61.39 -42.21 98.35 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.54 -42.21 99.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.421 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.49 -43.25 99.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.826 -0.624 . . . . 0.0 109.948 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -62.21 -41.6 98.52 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.228 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 60.0 mtt -61.93 -42.26 98.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.291 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -62.33 -41.79 98.85 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.71 99.42 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.34 -42.57 98.91 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -62.24 -42.12 99.04 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -61.52 -43.18 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.511 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -62.66 -42.84 99.83 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 123.638 0.586 . . . . 0.0 109.937 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -62.08 -41.69 98.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.959 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.84 -41.75 98.19 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -62.68 -43.01 99.91 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -62.02 -41.74 98.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.354 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -61.7 -42.72 99.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.426 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -62.47 -42.32 99.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -62.93 -43.09 99.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.105 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 35.6 mmt180 -62.65 -41.86 99.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.743 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -62.48 -41.61 98.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.236 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -62.54 -42.0 99.24 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.139 0.275 . . . . 0.0 110.984 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' O ' HG12 ' A' ' 65' ' ' ILE . 21.1 m-20 -62.0 -40.57 96.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 119.335 -0.364 . . . . 0.0 111.006 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -64.33 -40.94 96.9 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.827 0.851 . . . . 0.0 112.346 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -60.97 -41.43 96.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.338 -177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -73.68 6.59 3.03 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.251 -0.98 . . . . 0.0 111.278 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.519 HG22 ' O ' ' A' ' 65' ' ' ILE . 23.9 mm -109.84 0.12 9.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 50.54 72.46 0.34 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.159 0.504 . . . . 0.0 110.021 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.89 -39.14 90.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.641 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.197 -179.733 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -63.97 -40.55 96.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.268 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -63.41 -38.91 92.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.707 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -63.06 -44.0 97.02 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 123.42 0.45 . . . . 0.0 110.551 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -62.88 -41.28 99.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.647 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.5 -42.56 98.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.795 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.38 91.75 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.958 0.786 . . . . 0.0 109.443 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.42 -43.61 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.298 0.374 . . . . 0.0 110.168 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -63.24 -42.86 99.27 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.053 -0.659 . . . . 0.0 110.737 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.24 -38.47 89.36 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.816 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -62.94 -42.94 99.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.647 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -63.18 -41.64 99.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.309 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.9 mt -62.19 -42.83 96.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.717 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -61.66 -40.06 93.59 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.448 0.299 . . . . 0.0 110.668 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -63.39 -42.25 98.81 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.699 0.285 . . . . 0.0 111.529 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -62.61 -42.03 99.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.647 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.1 mtp -61.78 -40.38 94.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.755 -179.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -61.98 -42.33 99.02 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.145 0.278 . . . . 0.0 110.63 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.54 -42.68 99.69 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.421 0.45 . . . . 0.0 110.265 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -62.95 -42.32 99.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.947 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.6 -42.62 99.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.661 -179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -62.51 -41.79 99.07 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.252 0.345 . . . . 0.0 110.509 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.04 -42.18 98.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.441 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -62.91 -42.32 99.75 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 123.725 0.64 . . . . 0.0 110.087 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.11 -42.53 99.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.99 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -62.62 -42.84 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.534 0.521 . . . . 0.0 109.801 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.5 -42.05 99.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.392 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 54.5 tp10 -62.03 -43.03 99.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.89 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -62.15 -42.26 99.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.297 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.54 -42.87 99.81 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.435 0.459 . . . . 0.0 109.847 179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -62.08 -42.51 99.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.943 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 31.9 mmt180 -62.5 -43.08 99.69 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.503 0.502 . . . . 0.0 110.06 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.105 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -61.82 -42.32 98.88 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.616 0.572 . . . . 0.0 110.255 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.8 -42.32 99.66 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.175 0.297 . . . . 0.0 110.686 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -62.93 -43.26 99.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.216 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tp10 -62.75 -42.6 99.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.068 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -62.49 -43.39 98.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.769 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.8 ttp85 -61.23 -42.15 98.11 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.544 0.527 . . . . 0.0 109.687 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 ttp -61.4 -42.15 98.27 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -62.37 -42.48 99.44 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.259 0.35 . . . . 0.0 110.32 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.2 mt -62.38 -42.66 99.59 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.778 0.673 . . . . 0.0 110.151 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -62.56 -41.65 99.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.832 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -42.13 98.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.116 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.31 -41.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.79 -42.41 98.96 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -61.29 -42.35 98.51 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.35 -41.72 98.81 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -61.87 -42.78 99.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.713 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.12 -42.96 99.64 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -62.0 -41.6 98.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.888 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -61.72 -41.81 98.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.225 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -61.94 -42.73 99.44 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.96 -41.58 98.15 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.54 -42.62 99.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.04 -178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.35 -41.95 99.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.98 -42.96 99.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.626 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.76 -41.78 99.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.716 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -61.96 -41.32 97.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.888 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.34 -41.85 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.61 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.76 -39.8 92.9 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.128 0.571 . . . . 0.0 110.402 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 123.214 0.606 . . . . 0.0 111.345 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -60.9 -42.6 98.33 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.515 0.509 . . . . 0.0 109.977 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -140.33 112.47 7.72 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.011 -0.676 . . . . 0.0 109.633 178.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' ALA . 90.9 mt -62.62 -46.6 95.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 118.421 -0.799 . . . . 0.0 109.681 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 35.46 -91.06 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 O-C-N 124.896 1.373 . . . . 0.0 110.974 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' ILE . . . -147.83 148.87 31.36 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 50.1 mp0 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.387 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 68.2 mttm . . . . . 0 N--CA 1.489 1.488 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 54.45 -90.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.495 0.497 . . . . 0.0 110.492 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -64.02 -37.53 87.78 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -63.09 -40.61 98.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.555 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -65.02 -42.16 94.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.837 0.351 . . . . 0.0 110.077 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -61.24 -42.09 98.02 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 118.824 -1.15 . . . . 0.0 109.5 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.81 -41.34 91.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.274 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -61.99 -42.81 99.55 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.161 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 -63.0 -42.6 99.89 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 124.13 0.894 . . . . 0.0 110.384 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -62.11 -39.02 91.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.264 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -62.62 -42.1 99.39 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.971 0.36 . . . . 0.0 111.971 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 72.9 mmt-85 -63.3 -41.45 98.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.114 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -62.26 -42.71 96.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.348 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -61.72 -40.25 94.39 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 122.349 0.259 . . . . 0.0 110.739 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.68 -42.08 98.06 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 122.675 0.39 . . . . 0.0 111.551 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -62.66 -41.91 99.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.773 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 59.9 ttm -61.63 -40.62 95.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.676 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -61.75 -42.46 99.0 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.469 -0.197 . . . . 0.0 110.469 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.28 -42.67 99.54 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.279 0.362 . . . . 0.0 110.082 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -62.83 -41.97 99.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.288 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -61.9 -42.78 99.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.002 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.45 -41.91 99.08 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.182 0.301 . . . . 0.0 110.509 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.02 -42.09 98.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.502 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.62 -42.88 99.84 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.339 -0.544 . . . . 0.0 110.281 179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.03 -42.41 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.084 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.49 -43.01 99.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.105 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -62.94 -41.86 99.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -62.35 -43.12 99.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.983 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -62.44 -42.46 99.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.28 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.3 mtm-85 -62.33 -42.71 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.627 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -62.46 -42.29 99.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.394 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.4 tpt85 -62.35 -43.57 98.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.57 -42.85 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.581 0.551 . . . . 0.0 109.941 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -61.97 -42.37 99.05 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.648 0.592 . . . . 0.0 110.092 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -62.76 -42.32 99.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.746 0.308 . . . . 0.0 110.69 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.82 -42.93 99.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.369 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -62.52 -42.22 99.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.37 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 85.4 mmt-85 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -61.25 -42.08 98.01 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.539 0.525 . . . . 0.0 109.777 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.29 -42.27 98.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -62.56 -42.77 99.75 Favored 'General case' 0 C--N 1.33 -0.239 0 O-C-N 123.114 0.259 . . . . 0.0 110.387 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.6 mt -62.6 -43.19 99.44 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.556 0.535 . . . . 0.0 110.221 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -62.58 -41.91 99.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.221 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.2 mtp -61.9 -42.43 99.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.153 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.64 -41.94 99.32 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.66 99.43 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.31 -42.89 99.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.25 -42.34 99.24 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.35 -43.07 99.5 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.635 0.584 . . . . 0.0 109.514 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -62.7 -42.55 99.7 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.275 0.359 . . . . 0.0 110.181 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -62.25 -41.74 98.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.069 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -61.62 -41.37 97.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.671 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -62.57 -42.77 99.76 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -62.45 -41.79 99.0 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -61.79 -42.77 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.274 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -62.61 -42.21 99.44 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.486 0.315 . . . . 0.0 110.274 179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -62.95 -43.58 98.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.418 178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -62.89 -42.03 99.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.805 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.7 -41.89 99.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.036 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.33 -41.71 98.79 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.312 0.383 . . . . 0.0 111.208 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -61.99 -40.88 97.13 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.253 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.793 ' HA ' HD12 ' A' ' 65' ' ' ILE . 38.6 tp10 -64.17 -41.28 97.19 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.72 0.808 . . . . 0.0 112.166 179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.24 -41.73 97.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.998 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -74.56 6.56 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 119.112 -1.035 . . . . 0.0 111.16 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 62' ' ' GLU . 93.3 mt -101.89 -49.76 10.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -64.9 -39.65 93.87 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.676 0.61 . . . . 0.0 110.369 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -142.09 147.23 36.41 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.498 0.499 . . . . 0.0 110.278 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.847 -1.073 . . . . 0.0 110.411 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -69.24 130.65 43.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.452 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -65.85 -36.93 84.84 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.639 0.587 . . . . 0.0 110.589 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 59.96 17.71 6.88 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.65 0.594 . . . . 0.0 111.018 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -63.31 -41.88 98.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 110.358 179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.21 -42.35 98.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 118.845 -1.142 . . . . 0.0 109.75 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.33 91.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.187 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.32 -43.46 98.78 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.2 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.53 -43.45 97.11 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 124.0 0.812 . . . . 0.0 110.546 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.04 -38.77 89.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.78 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -62.69 -42.81 99.82 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.14 -41.2 99.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.093 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.19 -42.82 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.883 -178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -61.73 -40.32 94.65 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 122.407 0.283 . . . . 0.0 110.534 -179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -63.48 -42.01 98.58 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.63 -41.98 99.33 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.908 0.755 . . . . 0.0 111.16 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.9 mtt -61.52 -40.41 94.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.613 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.67 -42.18 98.56 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 122.932 0.145 . . . . 0.0 110.698 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -62.69 -42.91 99.88 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -63.04 -42.28 99.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.448 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -61.93 -42.61 99.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.257 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.93 -42.05 99.68 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 0.0 110.518 179.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -61.59 -42.62 99.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.27 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -62.49 -42.66 99.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.053 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -62.1 -42.81 99.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.843 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.51 -42.9 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.494 0.496 . . . . 0.0 110.349 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.152 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -62.02 -42.96 99.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.91 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.25 -42.14 99.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.076 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -62.56 -42.45 99.55 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 123.49 0.493 . . . . 0.0 110.265 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -62.29 -42.61 99.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.574 0.546 . . . . 0.0 110.085 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -62.08 -43.37 98.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.64 -42.57 99.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.93 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -61.74 -42.37 98.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.484 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.06 -42.39 99.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.767 0.318 . . . . 0.0 110.806 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -63.03 -43.07 99.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.125 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -62.62 -42.42 99.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.157 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.23 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -61.38 -42.14 98.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.883 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 4.1 mmt -61.51 -41.86 97.93 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -62.36 -42.36 99.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.182 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 mt -62.36 -42.94 99.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.218 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -62.65 -41.92 99.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.96 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 63.0 mtt -62.01 -42.39 99.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.1 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -62.57 -42.04 99.3 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.94 -42.49 99.17 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mttp -61.0 -42.38 98.33 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.63 0.581 . . . . 0.0 109.511 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.27 -41.97 98.93 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.693 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.06 -42.96 99.81 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.367 0.417 . . . . 0.0 110.172 179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.95 -41.67 98.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.095 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -61.66 -41.51 97.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.179 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -62.23 -42.98 99.8 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -62.42 -41.68 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.46 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.7 mtt85 -61.78 -42.7 99.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.953 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -62.23 -42.3 99.18 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 122.727 0.411 . . . . 0.0 110.049 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -62.76 -43.47 98.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.343 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -62.57 -42.27 99.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -62.48 -41.74 98.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.129 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -62.35 -42.09 99.12 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.191 0.307 . . . . 0.0 110.985 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.93 -40.5 95.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.559 ' HA ' HG22 ' A' ' 65' ' ' ILE . 69.0 mt-10 -64.65 -41.26 96.24 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 123.625 0.77 . . . . 0.0 112.068 179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.6 -41.35 97.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.016 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -77.71 6.41 7.44 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 119.711 -0.796 . . . . 0.0 111.431 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.559 HG22 ' HA ' ' A' ' 62' ' ' GLU . 6.0 tp -137.26 5.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 45.38 43.03 8.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.03 0.443 . . . . 0.0 110.672 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.31 -37.91 87.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.573 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.776 -179.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -61.75 -41.48 97.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.608 -179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.75 -40.81 97.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.571 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.88 -40.67 98.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.01 -42.38 94.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.104 0.478 . . . . 0.0 110.122 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.16 -42.74 99.11 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 118.763 -1.175 . . . . 0.0 109.12 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.69 -41.71 91.32 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.037 -0.665 . . . . 0.0 109.393 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -62.13 -43.19 99.38 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.167 178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -63.03 -43.51 98.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.059 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.4 tp -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.007 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.57 -41.29 98.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.037 0.446 . . . . 0.0 110.908 179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.09 -43.12 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.947 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -61.54 -40.02 93.16 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.498 0.319 . . . . 0.0 111.085 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -63.41 -42.03 98.74 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 122.882 0.473 . . . . 0.0 111.546 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -62.5 -42.13 99.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.635 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mmt -61.82 -40.4 95.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.968 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.41 -42.67 99.61 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.926 0.141 . . . . 0.0 110.747 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.55 -42.9 99.83 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.078 -0.341 . . . . 0.0 110.078 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.14 -42.26 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.861 178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 28.7 tpt180 -61.6 -42.77 99.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.985 -179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.37 -41.78 98.89 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.226 0.329 . . . . 0.0 110.726 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -62.0 -41.97 98.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.565 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -62.75 -42.62 99.76 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.231 179.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -61.93 -42.33 98.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.295 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -62.57 -43.18 99.44 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.558 0.536 . . . . 0.0 110.046 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -62.72 -42.19 99.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.5 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.38 -42.95 99.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.38 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -62.08 -42.14 98.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.391 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -62.41 -42.54 99.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.865 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -62.09 -42.18 98.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.253 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -62.23 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 123.62 0.575 . . . . 0.0 109.713 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -62.42 -42.34 99.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.247 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 68.6 mm-40 -61.66 -42.44 98.91 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.75 0.656 . . . . 0.0 110.457 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.54 -41.86 99.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.67 0.272 . . . . 0.0 110.975 178.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -62.86 -43.14 99.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.388 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -62.52 -42.36 99.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.263 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 34' ' ' GLU . 75.7 mmt-85 -62.75 -43.77 97.93 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -61.33 -41.93 97.84 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.3 mtm -61.63 -42.06 98.36 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.096 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -62.61 -42.22 99.45 Favored 'General case' 0 C--N 1.328 -0.329 0 O-C-N 123.158 0.286 . . . . 0.0 110.422 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.78 -43.2 99.42 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 123.79 0.681 . . . . 0.0 110.097 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -62.28 -41.97 98.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.054 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.3 mtp -61.84 -42.26 98.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.129 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -62.35 -42.12 99.14 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.69 99.39 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -61.22 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -62.29 -42.71 99.58 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.44 -42.76 99.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.888 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -62.99 -42.87 99.96 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 178.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -62.01 -41.67 98.32 Favored 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.612 0.57 . . . . 0.0 110.45 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -61.68 -41.31 97.39 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 123.199 0.312 . . . . 0.0 110.672 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -62.53 -42.94 99.85 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -62.11 -41.58 98.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.353 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -61.86 -42.63 99.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -62.48 -42.59 99.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -63.02 -42.86 99.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.641 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.1 ttp85 -62.7 -42.45 99.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.434 179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -62.31 -41.77 98.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.708 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -62.37 -41.91 98.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.043 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -62.31 -40.82 97.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.227 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -64.4 -41.92 96.38 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.741 0.816 . . . . 0.0 112.737 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -61.62 -41.66 97.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' O ' ' CG1' ' A' ' 65' ' ' ILE . 75.4 mtm180 -78.04 10.59 2.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.443 178.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 64' ' ' ARG . 26.3 pt 48.43 33.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 O-C-N 123.554 0.534 . . . . 0.0 111.262 -179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.7 tt0 48.8 26.28 1.24 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.981 0.42 . . . . 0.0 110.273 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -150.26 154.24 37.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.98 0.419 . . . . 0.0 110.526 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.574 -179.722 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -62.23 -43.32 99.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.459 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -63.85 -40.57 96.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.224 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -63.62 -42.45 98.2 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.491 0.494 . . . . 0.0 110.543 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -64.15 -42.06 96.91 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -60.82 -42.5 97.84 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 118.722 -1.191 . . . . 0.0 109.606 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.76 92.63 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 123.822 0.701 . . . . 0.0 109.817 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.3 -43.43 98.84 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.468 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtp85 -63.47 -43.08 98.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.359 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.9 tp -62.28 -38.76 90.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.087 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 71.2 ttt-85 -63.05 -42.48 99.72 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 122.494 0.317 . . . . 0.0 111.437 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -63.1 -41.0 99.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.698 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.19 -43.05 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.793 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -61.55 -40.29 94.16 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 122.531 0.332 . . . . 0.0 110.985 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -63.61 -41.73 98.29 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 122.819 0.448 . . . . 0.0 111.71 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -62.76 -41.95 99.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.684 -179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.74 -40.42 95.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.932 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -62.13 -42.68 99.48 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 122.988 0.18 . . . . 0.0 110.764 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -62.71 -43.09 99.7 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.43 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -62.96 -42.11 99.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.414 179.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -62.06 -43.03 99.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.766 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -62.68 -42.61 99.72 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.094 0.246 . . . . 0.0 110.51 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.84 -42.11 98.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.465 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -62.62 -42.61 99.68 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.687 0.617 . . . . 0.0 110.254 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -62.21 -42.46 99.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -62.55 -42.79 99.76 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 123.401 0.438 . . . . 0.0 110.307 179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -62.81 -42.09 99.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.1 -42.57 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.254 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -62.14 -42.27 99.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.987 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -62.43 -42.48 99.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.183 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -62.29 -42.38 99.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.043 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.11 -43.56 98.57 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 123.578 0.549 . . . . 0.0 109.719 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.67 -42.63 99.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -61.75 -42.29 98.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.62 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.32 -42.17 98.97 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.796 0.331 . . . . 0.0 110.597 178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.09 -43.3 98.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.869 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -62.49 -42.19 99.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.245 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -62.19 -44.25 97.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -60.78 -42.27 97.2 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.585 -0.446 . . . . 0.0 109.999 -179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 63.8 mtt -61.4 -41.92 97.9 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.73 -42.05 99.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.307 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 73.1 mt -62.69 -42.9 99.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.077 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.41 -41.72 98.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.24 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.09 -42.38 99.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.296 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.6 -41.8 99.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.24 98.78 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -61.29 -42.73 99.15 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.37 -42.19 99.21 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.11 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.872 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.17 -43.06 99.29 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -62.15 -41.67 98.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.286 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -62.09 -41.7 98.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.516 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -62.48 -42.99 99.87 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 122.311 0.244 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -62.23 -41.57 98.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.588 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -62.08 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.381 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -62.62 -42.33 99.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.9 -43.11 99.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.382 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 62.5 mtt85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.948 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -62.42 -41.92 99.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.954 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.38 -41.65 98.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.41 -40.64 97.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.39 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -64.82 -41.85 95.43 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 123.571 0.748 . . . . 0.0 112.088 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.34 -41.13 96.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -78.83 7.68 6.69 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 119.364 -0.934 . . . . 0.0 110.916 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 53.3 mt 63.37 64.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 65.91 47.75 1.96 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.065 0.459 . . . . 0.0 110.865 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 47.1 53.71 10.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.582 -1.199 . . . . 0.0 111.434 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -140.5 157.19 45.87 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.49 0.494 . . . . 0.0 110.269 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -139.01 158.0 44.98 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 123.681 0.613 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -57.55 -19.45 25.38 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.782 0.676 . . . . 0.0 110.716 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -61.51 -39.15 89.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.936 0.398 . . . . 0.0 110.128 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -61.11 -42.4 98.45 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 118.977 -1.089 . . . . 0.0 109.755 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.09 -41.44 92.51 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.52 -43.44 98.8 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.562 -0.455 . . . . 0.0 110.402 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -63.37 -43.33 97.94 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.074 0.858 . . . . 0.0 110.247 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 17.6 tp -61.87 -38.74 89.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.571 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 63.8 ttp85 -62.7 -42.6 99.73 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.542 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.13 -41.2 99.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.007 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 88.7 mt -62.28 -42.68 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.943 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -61.72 -40.38 94.87 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 122.453 0.301 . . . . 0.0 110.698 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -63.5 -42.18 98.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.692 0.282 . . . . 0.0 111.699 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -62.52 -42.19 99.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.559 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 58.6 ttm -61.6 -40.48 94.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.579 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.1 -42.29 99.07 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 123.015 0.197 . . . . 0.0 110.532 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.239 0.337 . . . . 0.0 110.174 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -62.76 -42.08 99.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.42 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.968 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.7 mmtm -62.66 -42.34 99.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.669 0.271 . . . . 0.0 110.657 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -61.98 -42.68 99.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.214 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.1 mtp85 -62.67 -42.42 99.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.306 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -62.33 -42.65 99.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.94 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.45 -42.77 99.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.237 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.69 -41.89 99.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.252 179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -61.83 -42.58 99.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.252 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -62.29 -42.27 99.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 69.9 ttp85 -62.31 -42.68 99.57 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.948 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -62.26 -42.53 99.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.227 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -62.47 -43.3 99.15 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.671 0.607 . . . . 0.0 110.166 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.69 -42.41 99.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.407 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -61.88 -42.64 99.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.006 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -62.78 -42.41 99.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.597 0.237 . . . . 0.0 110.986 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.05 -43.28 99.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.378 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.58 -42.65 99.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.288 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -62.31 -43.58 98.48 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.2 mmt-85 -61.23 -41.66 97.26 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.281 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.2 ttp -61.56 -42.28 98.61 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -62.36 -42.73 99.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.28 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.54 -42.84 99.79 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.652 0.595 . . . . 0.0 110.834 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 -62.53 -42.22 99.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.741 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.85 -42.38 98.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.119 -179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.37 -41.89 98.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.41 99.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.01 -42.87 99.28 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -62.25 -42.43 99.32 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -61.6 -43.41 98.91 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.2 tp60 -62.97 -42.86 99.95 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 123.446 0.466 . . . . 0.0 110.149 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.134 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.3 tp10 -61.56 -41.33 97.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.045 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -62.32 -42.79 99.66 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.03 -41.45 98.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.281 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -61.35 -43.06 99.51 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.747 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -62.02 -42.43 99.15 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -63.05 -43.38 98.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.33 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -62.91 -42.03 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.724 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.5 -41.74 99.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -62.46 -41.93 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.241 0.338 . . . . 0.0 111.111 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.03 -40.87 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.507 ' O ' HD13 ' A' ' 65' ' ' ILE . 77.8 tt0 -64.95 -42.08 94.94 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 123.202 0.601 . . . . 0.0 112.242 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.17 -41.33 96.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.976 -177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -79.1 6.4 9.63 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.378 179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 65' ' ' ILE . 29.4 mm 48.68 35.81 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.482 0.182 . . . . 0.0 110.867 179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 40.73 29.96 0.08 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.473 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.62 91.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.104 -178.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.537 -1.22 . . . . 0.0 110.208 179.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 N--CA 1.492 1.637 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -63.76 -39.7 94.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.558 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -63.0 -41.54 99.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.643 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -65.06 -40.43 94.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.378 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -62.69 -42.78 99.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.126 0.489 . . . . 0.0 110.474 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.1 -42.42 98.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.561 -179.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.83 -41.23 90.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.209 -178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -62.06 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.943 -0.303 . . . . 0.0 110.295 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -63.32 -42.84 99.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.783 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -62.03 -38.55 89.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.989 . . . . 0.0 110.683 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 46.7 mmm-85 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.28 -41.58 99.0 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.314 0.384 . . . . 0.0 111.145 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 90.0 mt -62.42 -43.01 97.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 O-C-N 124.222 0.951 . . . . 0.0 110.055 -178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.56 -40.29 94.19 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.461 0.304 . . . . 0.0 110.56 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.62 -42.09 98.22 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.675 0.39 . . . . 0.0 111.673 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -62.74 -42.16 99.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.821 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.79 -40.6 95.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.889 -179.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.2 -42.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.021 0.201 . . . . 0.0 110.725 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -62.56 -42.66 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -62.98 -42.3 99.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.913 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.5 tpt85 -61.6 -42.5 98.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.748 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.54 -42.32 99.45 Favored 'General case' 0 C--N 1.329 -0.291 0 O-C-N 123.27 0.356 . . . . 0.0 110.343 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -62.03 -42.53 99.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.256 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 4.6 mmp_? -62.78 -42.73 99.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.516 179.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -62.08 -42.4 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.209 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -62.88 -43.08 99.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.083 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -62.69 -42.03 99.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.02 -42.6 99.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.253 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -62.01 -42.53 99.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.995 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -62.16 -42.42 99.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.387 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -62.32 -42.72 99.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.757 179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -62.29 -43.76 98.08 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.477 0.485 . . . . 0.0 109.881 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -62.62 -42.39 99.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.806 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -61.74 -42.26 98.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.892 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -63.02 -42.19 99.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.668 0.271 . . . . 0.0 110.645 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -62.8 -43.02 99.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.231 179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 -62.45 -42.45 99.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.025 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -62.16 -43.38 98.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.77 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -61.27 -42.2 98.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.763 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 92.7 mmm -61.47 -41.9 97.96 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.57 -42.32 99.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.549 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.5 -43.25 99.26 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.655 0.597 . . . . 0.0 109.969 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -62.29 -41.92 98.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.8 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 27.8 ttt -61.63 -42.56 99.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.631 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.31 -41.98 98.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.71 99.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -61.14 -42.63 98.9 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 123.498 0.499 . . . . 0.0 109.739 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -62.72 -42.11 99.49 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.99 -43.18 99.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -62.87 -42.79 99.89 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 123.368 0.418 . . . . 0.0 110.151 178.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.8 tt0 -61.75 -41.42 97.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.699 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -61.36 -41.36 96.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -61.98 -42.76 99.5 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.0 tt0 -62.34 -41.76 98.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.212 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -61.55 -42.93 99.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.075 -178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -62.26 -42.08 99.01 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -63.09 -43.51 98.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.522 179.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -62.82 -42.09 99.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.742 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.44 -41.5 98.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.007 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.424 0.452 . . . . 0.0 110.554 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -61.52 -39.84 92.47 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 122.698 0.399 . . . . 0.0 110.774 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HA ' ' CD1' ' A' ' 65' ' ' ILE . 71.7 mm-40 -63.53 -41.13 98.48 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.336 0.654 . . . . 0.0 111.268 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.35 -42.36 98.57 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.326 -177.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -66.4 3.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.495 -0.882 . . . . 0.0 111.455 178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 62' ' ' GLU . 84.6 mt -67.19 -42.03 87.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -57.6 -39.08 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.391 0.432 . . . . 0.0 110.583 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.53 -36.14 75.56 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 123.589 0.556 . . . . 0.0 110.154 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 67.1 tt0 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.278 -179.821 . . . . . . . . 0 0 . 1 stop_ save_