data_2muj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2muj _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt . . . . . 0 CA--C 1.563 1.451 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 . . . . . 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.309 -0.853 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m120 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -148.18 129.76 14.97 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -142.39 71.24 1.34 Allowed 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.6 -29.48 30.72 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.775 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.46 -45.88 85.51 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.28 -46.34 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.837 0.855 . . . . 0.0 113.093 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -64.4 -42.8 95.91 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 124.444 1.098 . . . . 0.0 112.769 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -68.15 -55.64 11.67 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -73.22 -54.91 7.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.067 0.947 . . . . 0.0 113.503 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 t0 52.06 52.87 13.52 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.708 1.14 . . . . 0.0 112.922 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.299 56.7 tptt 76.88 -46.04 0.5 Allowed 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 126.005 1.722 . . . . 0.0 113.925 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -122.18 -84.76 0.66 Allowed 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -155.88 91.1 1.26 Allowed 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.0 tp 50.1 55.76 8.94 Favored 'General case' 0 N--CA 1.517 2.915 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.607 1.194 . . . . 0.0 109.099 -179.817 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.51 110.49 20.92 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 122.868 0.467 . . . . 0.0 109.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.359 4.6 p-10 56.03 55.89 6.46 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -69.48 -40.56 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.26 -42.39 72.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -61.85 -46.12 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 123.896 0.878 . . . . 0.0 110.825 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -48.01 73.13 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.085 0.954 . . . . 0.0 113.441 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -90.37 -63.63 1.25 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.16 -39.28 65.78 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.04 56.27 0.76 Allowed 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.167 0.894 . . . . 0.0 112.184 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -143.12 -63.48 0.41 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.21 1.004 . . . . 0.0 111.173 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -79.52 -61.78 1.9 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.388 0.675 . . . . 0.0 112.483 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -122.4 92.21 3.67 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.56 -55.13 30.21 Favored 'General case' 0 CA--C 1.563 1.472 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 177.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.28 109.91 20.99 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -149.32 106.49 3.6 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -30.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.1 -44.44 38.7 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.12 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 C-N-CA 123.985 0.914 . . . . 0.0 111.095 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.62 -45.5 78.91 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -85.33 -63.4 1.33 Allowed 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -70.07 -42.09 73.27 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -99.2 54.12 0.97 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 122.107 0.956 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -143.45 -71.08 0.31 Allowed 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 t -70.85 -48.61 53.01 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.267 34.7 tt0 -101.86 -126.25 0.2 Allowed 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.17 -73.12 0.16 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.241 1.416 . . . . 0.0 107.241 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 177.655 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -150.2 116.05 5.59 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -155.62 95.54 1.68 Allowed 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.322 0.649 . . . . 0.0 109.892 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.457 0.3 OUTLIER 65.11 -59.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 128.238 2.615 . . . . 0.0 116.467 177.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.75 -37.54 59.2 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.43 -49.24 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 CA-C-N 119.878 1.217 . . . . 0.0 111.826 177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -72.86 -42.46 63.69 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -71.53 -59.01 2.99 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.19 -35.69 61.51 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -117.42 44.88 2.03 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -162.55 -58.45 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 125.611 1.564 . . . . 0.0 108.764 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 t -71.32 -53.98 12.36 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.322 0.649 . . . . 0.0 112.672 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.07 76.59 1.08 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.892 0.877 . . . . 0.0 108.768 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -84.09 -67.48 0.79 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.652 0.781 . . . . 0.0 109.698 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -144.49 132.91 21.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.32 108.89 4.5 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 102.946 -2.983 . . . . 0.0 102.946 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 10.7 tp -45.93 -34.03 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.3 -49.35 23.36 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.916 0.887 . . . . 0.0 112.283 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.76 -44.81 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.216 1.006 . . . . 0.0 111.386 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.33 -45.91 78.63 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.148 0.979 . . . . 0.0 113.483 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.73 -38.54 81.99 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -76.62 -42.53 41.95 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.44 48.73 1.09 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -132.08 -43.16 0.97 Allowed 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.09 1.356 . . . . 0.0 112.432 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t -116.6 -91.98 0.53 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.89 106.64 0.72 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp -139.29 52.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.609 0.364 . . . . 0.0 111.281 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 178.009 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.48 110.1 4.86 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -148.82 103.23 3.35 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -81.38 21.13 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.19 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.35 -38.56 81.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.22 -47.18 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 119.165 0.893 . . . . 0.0 111.421 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.17 -44.39 76.04 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -59.34 -50.04 75.52 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.12 -38.69 91.97 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -99.67 49.7 0.93 Allowed 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.101 0.96 . . . . 0.0 111.981 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.47 -66.45 0.2 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.89 -53.85 18.85 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.4 0.68 . . . . 0.0 112.264 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.85 71.66 1.31 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.2 tp -87.17 -67.69 0.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.76 0.824 . . . . 0.0 110.533 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.272 9.2 tp . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.32 110.84 21.09 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -148.7 106.07 3.64 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 0.0 OUTLIER -55.0 -34.33 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 177.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.17 -50.55 18.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.205 1.002 . . . . 0.0 113.252 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.6 -43.89 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 C-N-CA 123.688 0.795 . . . . 0.0 111.349 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.63 -50.84 65.56 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 124.372 1.069 . . . . 0.0 113.04 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -91.54 -62.81 1.35 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -71.92 -34.94 69.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.94 61.25 0.74 Allowed 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 119.63 1.105 . . . . 0.0 110.465 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -138.72 -63.47 0.54 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.825 1.25 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 t -77.46 -58.08 3.47 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.335 0.654 . . . . 0.0 111.917 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -120.86 93.07 3.91 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.75 -57.67 10.12 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 177.795 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . 0.28 84.3 m-85 . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -91.09 137.47 32.34 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -145.38 72.23 1.31 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mm -137.01 -78.54 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.597 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.21 -32.14 73.0 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.74 -51.26 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 CA-C-N 119.812 1.187 . . . . 0.0 111.132 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -70.95 -40.6 71.91 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -66.61 -49.48 66.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -70.09 -58.62 3.61 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.775 0.83 . . . . 0.0 112.769 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 56.83 60.14 3.18 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.987 0.812 . . . . 0.0 110.959 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.313 28.0 tptp 82.29 -55.93 0.22 Allowed 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 126.981 2.112 . . . . 0.0 111.938 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 t -123.43 -89.42 0.59 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -154.63 89.56 1.26 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.89 -72.63 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 118.817 0.735 . . . . 0.0 109.615 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.51 91.12 3.49 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -161.38 92.73 0.91 Allowed 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.516 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.425 6.2 tt 62.32 -41.25 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 119.711 3.226 . . . . 0.0 119.711 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.03 -37.27 39.52 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -58.28 -50.89 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 120.103 1.319 . . . . 0.0 113.911 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -71.19 -41.94 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -88.2 -64.71 1.11 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -72.02 -32.49 67.2 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -106.96 64.04 0.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 119.556 1.071 . . . . 0.0 109.911 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -138.25 -67.15 0.48 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.822 1.249 . . . . 0.0 109.261 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.5 t -75.49 -52.06 11.54 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -116.17 94.63 4.73 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.42 -53.51 51.24 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 177.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -83.19 132.76 35.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.818 0.847 . . . . 0.0 111.535 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -158.95 108.06 1.92 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.63 -24.96 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.11 -32.75 65.15 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.75 -51.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 CA-C-N 121.071 1.76 . . . . 0.0 112.157 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -41.72 53.35 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.3 -46.15 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -65.51 -38.32 89.34 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 46.09 1.06 Allowed 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 123.903 0.881 . . . . 0.0 112.516 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -152.37 -61.82 0.16 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.199 1.4 . . . . 0.0 108.795 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -77.78 -57.4 3.83 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -130.41 87.0 2.45 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 tt -91.67 -72.44 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.865 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.98 114.7 27.34 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.253 71.5 m-80 -129.67 -131.1 0.21 Allowed 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.43 5.9 tt 63.98 -35.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 119.156 3.021 . . . . 0.0 119.156 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.21 -41.83 69.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.47 -46.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 C-N-CA 123.738 0.815 . . . . 0.0 111.372 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -67.47 -45.0 77.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -63.64 -48.05 78.82 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -73.72 -64.98 0.89 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.923 0.889 . . . . 0.0 111.543 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 t70 56.26 59.14 3.82 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.783 0.833 . . . . 0.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.31 56.9 tptt 80.12 -54.91 0.37 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 126.685 1.994 . . . . 0.0 112.331 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 t -119.67 -92.16 0.54 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -155.49 91.57 1.33 Allowed 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.39 -92.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.187 0.903 . . . . 0.0 109.175 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.43 104.81 3.95 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -162.69 117.88 1.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.46 -21.59 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.98 -22.95 67.08 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.4 -52.66 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.957 1.708 . . . . 0.0 110.504 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.76 -38.12 67.45 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.96 -45.9 89.36 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.97 -38.24 90.35 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -107.43 59.34 0.62 Allowed 'General case' 0 CA--C 1.567 1.628 0 C-N-CA 124.024 0.93 . . . . 0.0 110.665 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -145.37 -60.02 0.34 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 125.67 1.588 . . . . 0.0 107.7 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -73.89 -57.03 4.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.565 0.621 . . . . 0.0 112.579 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.52 92.13 3.5 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.6 -54.25 38.91 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 177.906 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -144.77 104.52 4.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -159.51 106.77 1.72 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -59.12 -24.61 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.1 tp -72.48 -25.97 61.62 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 116.836 2.162 . . . . 0.0 116.836 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.37 -51.49 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 CA-C-N 121.299 1.863 . . . . 0.0 111.309 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -77.51 -42.69 34.66 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.91 -46.8 86.12 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.33 -39.96 96.0 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -95.0 52.77 1.49 Allowed 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 124.129 0.972 . . . . 0.0 111.552 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -146.48 -67.91 0.27 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.582 1.553 . . . . 0.0 108.15 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -72.98 -53.61 10.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.385 0.674 . . . . 0.0 112.479 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -102.51 74.7 1.4 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -109.49 65.99 0.62 Allowed 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 123.766 0.827 . . . . 0.0 108.803 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt . . . . . 0 CA--C 1.563 1.451 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 . . . . . 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.309 -0.853 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -148.18 129.76 14.97 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -142.39 71.24 1.34 Allowed 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.6 -29.48 30.72 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.775 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.46 -45.88 85.51 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.28 -46.34 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.837 0.855 . . . . 0.0 113.093 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -64.4 -42.8 95.91 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 124.444 1.098 . . . . 0.0 112.769 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -68.15 -55.64 11.67 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -73.22 -54.91 7.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.067 0.947 . . . . 0.0 113.503 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 t0 52.06 52.87 13.52 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.708 1.14 . . . . 0.0 112.922 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.299 56.7 tptt 76.88 -46.04 0.5 Allowed 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 126.005 1.722 . . . . 0.0 113.925 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -122.18 -84.76 0.66 Allowed 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -155.88 91.1 1.26 Allowed 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.0 tp 50.1 55.76 8.94 Favored 'General case' 0 N--CA 1.517 2.915 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.607 1.194 . . . . 0.0 109.099 -179.817 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.51 110.49 20.92 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 122.868 0.467 . . . . 0.0 109.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.359 4.6 p-10 56.03 55.89 6.46 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -69.48 -40.56 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.26 -42.39 72.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -61.85 -46.12 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 123.896 0.878 . . . . 0.0 110.825 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -48.01 73.13 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.085 0.954 . . . . 0.0 113.441 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -90.37 -63.63 1.25 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.16 -39.28 65.78 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.04 56.27 0.76 Allowed 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.167 0.894 . . . . 0.0 112.184 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -143.12 -63.48 0.41 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.21 1.004 . . . . 0.0 111.173 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -79.52 -61.78 1.9 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.388 0.675 . . . . 0.0 112.483 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -122.4 92.21 3.67 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.56 -55.13 30.21 Favored 'General case' 0 CA--C 1.563 1.472 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 177.884 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.28 109.91 20.99 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -149.32 106.49 3.6 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -30.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.1 -44.44 38.7 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.12 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 C-N-CA 123.985 0.914 . . . . 0.0 111.095 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.62 -45.5 78.91 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -85.33 -63.4 1.33 Allowed 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -70.07 -42.09 73.27 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -99.2 54.12 0.97 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 122.107 0.956 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -143.45 -71.08 0.31 Allowed 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 t -70.85 -48.61 53.01 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.267 34.7 tt0 -101.86 -126.25 0.2 Allowed 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.17 -73.12 0.16 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.241 1.416 . . . . 0.0 107.241 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 177.655 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -150.2 116.05 5.59 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -155.62 95.54 1.68 Allowed 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.322 0.649 . . . . 0.0 109.892 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.457 0.3 OUTLIER 65.11 -59.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 128.238 2.615 . . . . 0.0 116.467 177.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.75 -37.54 59.2 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.43 -49.24 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 CA-C-N 119.878 1.217 . . . . 0.0 111.826 177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -72.86 -42.46 63.69 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -71.53 -59.01 2.99 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.19 -35.69 61.51 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -117.42 44.88 2.03 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -162.55 -58.45 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 125.611 1.564 . . . . 0.0 108.764 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 t -71.32 -53.98 12.36 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.322 0.649 . . . . 0.0 112.672 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.07 76.59 1.08 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.892 0.877 . . . . 0.0 108.768 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -84.09 -67.48 0.79 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.652 0.781 . . . . 0.0 109.698 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.926 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -144.49 132.91 21.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.32 108.89 4.5 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 102.946 -2.983 . . . . 0.0 102.946 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 10.7 tp -45.93 -34.03 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.3 -49.35 23.36 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.916 0.887 . . . . 0.0 112.283 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.76 -44.81 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.216 1.006 . . . . 0.0 111.386 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.33 -45.91 78.63 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.148 0.979 . . . . 0.0 113.483 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.73 -38.54 81.99 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -76.62 -42.53 41.95 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.44 48.73 1.09 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -132.08 -43.16 0.97 Allowed 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.09 1.356 . . . . 0.0 112.432 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t -116.6 -91.98 0.53 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.89 106.64 0.72 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp -139.29 52.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.609 0.364 . . . . 0.0 111.281 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 178.009 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.48 110.1 4.86 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -148.82 103.23 3.35 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -81.38 21.13 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.19 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.35 -38.56 81.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.22 -47.18 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 119.165 0.893 . . . . 0.0 111.421 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.17 -44.39 76.04 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -59.34 -50.04 75.52 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -64.12 -38.69 91.97 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -99.67 49.7 0.93 Allowed 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.101 0.96 . . . . 0.0 111.981 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.47 -66.45 0.2 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.89 -53.85 18.85 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.4 0.68 . . . . 0.0 112.264 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.85 71.66 1.31 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.2 tp -87.17 -67.69 0.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.76 0.824 . . . . 0.0 110.533 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.272 9.2 tp . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.32 110.84 21.09 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -148.7 106.07 3.64 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 0.0 OUTLIER -55.0 -34.33 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 177.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.17 -50.55 18.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.205 1.002 . . . . 0.0 113.252 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.6 -43.89 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 C-N-CA 123.688 0.795 . . . . 0.0 111.349 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.63 -50.84 65.56 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 124.372 1.069 . . . . 0.0 113.04 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -91.54 -62.81 1.35 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -71.92 -34.94 69.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.94 61.25 0.74 Allowed 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 119.63 1.105 . . . . 0.0 110.465 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -138.72 -63.47 0.54 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.825 1.25 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 t -77.46 -58.08 3.47 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.335 0.654 . . . . 0.0 111.917 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -120.86 93.07 3.91 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.75 -57.67 10.12 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 177.795 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . 0.28 84.3 m-85 . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -91.09 137.47 32.34 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -145.38 72.23 1.31 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mm -137.01 -78.54 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.597 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.21 -32.14 73.0 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.74 -51.26 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 CA-C-N 119.812 1.187 . . . . 0.0 111.132 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -70.95 -40.6 71.91 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -66.61 -49.48 66.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -70.09 -58.62 3.61 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.775 0.83 . . . . 0.0 112.769 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 56.83 60.14 3.18 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.987 0.812 . . . . 0.0 110.959 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.313 28.0 tptp 82.29 -55.93 0.22 Allowed 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 126.981 2.112 . . . . 0.0 111.938 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 t -123.43 -89.42 0.59 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -154.63 89.56 1.26 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.89 -72.63 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 118.817 0.735 . . . . 0.0 109.615 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.51 91.12 3.49 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -161.38 92.73 0.91 Allowed 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.516 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.425 6.2 tt 62.32 -41.25 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 119.711 3.226 . . . . 0.0 119.711 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.03 -37.27 39.52 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -58.28 -50.89 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 120.103 1.319 . . . . 0.0 113.911 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -71.19 -41.94 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -88.2 -64.71 1.11 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -72.02 -32.49 67.2 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -106.96 64.04 0.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 119.556 1.071 . . . . 0.0 109.911 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -138.25 -67.15 0.48 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.822 1.249 . . . . 0.0 109.261 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.5 t -75.49 -52.06 11.54 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -116.17 94.63 4.73 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.42 -53.51 51.24 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 177.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -83.19 132.76 35.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.818 0.847 . . . . 0.0 111.535 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -158.95 108.06 1.92 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.63 -24.96 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.11 -32.75 65.15 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.75 -51.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 CA-C-N 121.071 1.76 . . . . 0.0 112.157 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -41.72 53.35 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.2 m-80 -65.3 -46.15 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -65.51 -38.32 89.34 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 46.09 1.06 Allowed 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 123.903 0.881 . . . . 0.0 112.516 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -152.37 -61.82 0.16 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.199 1.4 . . . . 0.0 108.795 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -77.78 -57.4 3.83 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -130.41 87.0 2.45 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 tt -91.67 -72.44 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.865 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.98 114.7 27.34 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.253 71.5 m-80 -129.67 -131.1 0.21 Allowed 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.43 5.9 tt 63.98 -35.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 119.156 3.021 . . . . 0.0 119.156 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.21 -41.83 69.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.47 -46.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 C-N-CA 123.738 0.815 . . . . 0.0 111.372 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -67.47 -45.0 77.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -63.64 -48.05 78.82 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -73.72 -64.98 0.89 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.923 0.889 . . . . 0.0 111.543 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 t70 56.26 59.14 3.82 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.783 0.833 . . . . 0.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.31 56.9 tptt 80.12 -54.91 0.37 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 126.685 1.994 . . . . 0.0 112.331 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 t -119.67 -92.16 0.54 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -155.49 91.57 1.33 Allowed 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.39 -92.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.187 0.903 . . . . 0.0 109.175 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.43 104.81 3.95 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -162.69 117.88 1.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.46 -21.59 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.98 -22.95 67.08 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.4 -52.66 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.957 1.708 . . . . 0.0 110.504 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.76 -38.12 67.45 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.96 -45.9 89.36 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.97 -38.24 90.35 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -107.43 59.34 0.62 Allowed 'General case' 0 CA--C 1.567 1.628 0 C-N-CA 124.024 0.93 . . . . 0.0 110.665 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -145.37 -60.02 0.34 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 125.67 1.588 . . . . 0.0 107.7 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -73.89 -57.03 4.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.565 0.621 . . . . 0.0 112.579 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.52 92.13 3.5 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.6 -54.25 38.91 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 177.906 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -144.77 104.52 4.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -159.51 106.77 1.72 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -59.12 -24.61 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.1 tp -72.48 -25.97 61.62 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 116.836 2.162 . . . . 0.0 116.836 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.37 -51.49 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 CA-C-N 121.299 1.863 . . . . 0.0 111.309 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -77.51 -42.69 34.66 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.91 -46.8 86.12 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.33 -39.96 96.0 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -95.0 52.77 1.49 Allowed 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 124.129 0.972 . . . . 0.0 111.552 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -146.48 -67.91 0.27 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.582 1.553 . . . . 0.0 108.15 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -72.98 -53.61 10.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.385 0.674 . . . . 0.0 112.479 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -102.51 74.7 1.4 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -109.49 65.99 0.62 Allowed 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 123.766 0.827 . . . . 0.0 108.803 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 . . . . . 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt . . . . . 0 CA--C 1.563 1.451 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 . . . . . 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 . . . . . 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 113.483 0.919 . . . . 0.0 113.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 . . . . . 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm . . . . . 0 CA--C 1.56 1.333 0 CA-C-O 118.309 -0.853 . . . . 0.0 113.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 . . . . . 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 . . . . . 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 . . . . . 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 m120 . . . . . 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m120 . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 . . . . . 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 N--CA 1.495 1.807 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -148.18 129.76 14.97 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -142.39 71.24 1.34 Allowed 'General case' 0 CA--C 1.558 1.283 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 15.5 tt -72.6 -29.48 30.72 Favored 'Isoleucine or valine' 0 CA--C 1.571 1.775 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.5 tp -64.46 -45.88 85.51 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.28 -46.34 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 123.837 0.855 . . . . 0.0 113.093 177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -64.4 -42.8 95.91 Favored 'General case' 0 CA--C 1.565 1.533 0 C-N-CA 124.444 1.098 . . . . 0.0 112.769 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.9 mmt -68.29 -20.92 64.8 Favored 'General case' 0 CA--C 1.566 1.584 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -65.93 -54.95 19.75 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 121.3 1.864 . . . . 0.0 111.561 177.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -70.05 -37.22 75.48 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.8 m -61.66 -52.04 65.97 Favored 'General case' 0 CA--C 1.566 1.558 0 CA-C-N 119.42 1.009 . . . . 0.0 112.253 177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -66.24 -38.29 87.54 Favored 'General case' 0 CA--C 1.565 1.547 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -65.38 -54.5 27.88 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 120.186 1.357 . . . . 0.0 113.922 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -68.15 -55.64 11.67 Favored 'General case' 0 N--CA 1.486 1.366 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t30 -73.22 -54.91 7.26 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.067 0.947 . . . . 0.0 113.503 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 42.6 t0 52.06 52.87 13.52 Favored 'General case' 0 N--CA 1.497 1.925 0 CA-C-N 119.708 1.14 . . . . 0.0 112.922 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.299 56.7 tptt 76.88 -46.04 0.5 Allowed 'General case' 0 CA--C 1.57 1.72 0 C-N-CA 126.005 1.722 . . . . 0.0 113.925 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.0 t -122.18 -84.76 0.66 Allowed 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -155.88 91.1 1.26 Allowed 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 106.017 -1.845 . . . . 0.0 106.017 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 15.0 tp 50.1 55.76 8.94 Favored 'General case' 0 N--CA 1.517 2.915 0 N-CA-C 114.159 1.17 . . . . 0.0 114.159 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.484 1.266 0 CA-C-O 122.607 1.194 . . . . 0.0 109.099 -179.817 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -88.51 110.49 20.92 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 122.868 0.467 . . . . 0.0 109.863 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.359 4.6 p-10 56.03 55.89 6.46 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 115.873 1.805 . . . . 0.0 115.873 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 16.1 tt -69.48 -40.56 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -70.26 -42.39 72.23 Favored 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.6 t -61.85 -46.12 97.19 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 123.896 0.878 . . . . 0.0 110.825 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -65.82 -48.01 73.13 Favored 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 124.085 0.954 . . . . 0.0 113.441 177.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 mmt -67.32 -19.26 65.44 Favored 'General case' 0 CA--C 1.565 1.536 0 N-CA-C 116.879 2.178 . . . . 0.0 116.879 177.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -66.67 -57.83 6.38 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 120.209 1.368 . . . . 0.0 111.33 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -73.2 -33.51 65.42 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.3 m -61.81 -51.2 69.21 Favored 'General case' 0 CA--C 1.565 1.55 0 CA-C-N 119.92 1.236 . . . . 0.0 112.262 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.03 -40.79 74.96 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -65.93 -34.6 78.48 Favored 'General case' 0 CA--C 1.564 1.507 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -90.37 -63.63 1.25 Allowed 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.096 0.958 . . . . 0.0 113.016 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -73.16 -39.28 65.78 Favored 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 117.151 2.278 . . . . 0.0 117.151 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.04 56.27 0.76 Allowed 'General case' 0 CA--C 1.564 1.49 0 CA-C-N 119.167 0.894 . . . . 0.0 112.184 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -143.12 -63.48 0.41 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.21 1.004 . . . . 0.0 111.173 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.9 t -79.52 -61.78 1.9 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 123.388 0.675 . . . . 0.0 112.483 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -122.4 92.21 3.67 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mp -62.56 -55.13 30.21 Favored 'General case' 0 CA--C 1.563 1.472 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 N--CA 1.494 1.753 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 177.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -90.28 109.91 20.99 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -149.32 106.49 3.6 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 103.931 -2.618 . . . . 0.0 103.931 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -30.71 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 116.571 2.063 . . . . 0.0 116.571 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.1 -44.44 38.7 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -61.12 -45.66 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 C-N-CA 123.985 0.914 . . . . 0.0 111.095 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -66.62 -45.5 78.91 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 177.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.1 mmm -70.45 -17.87 62.99 Favored 'General case' 0 CA--C 1.564 1.496 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -66.41 -60.13 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-N 120.653 1.57 . . . . 0.0 110.929 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.18 -33.57 75.68 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -63.18 -55.65 23.29 Favored 'General case' 0 CA--C 1.565 1.535 0 CA-C-N 119.746 1.157 . . . . 0.0 111.629 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -67.34 -38.75 85.36 Favored 'General case' 0 CA--C 1.57 1.727 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -65.11 -41.09 95.25 Favored 'General case' 0 CA--C 1.564 1.503 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -85.33 -63.4 1.33 Allowed 'General case' 0 CA--C 1.561 1.393 0 C-N-CA 124.26 1.024 . . . . 0.0 113.374 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -70.07 -42.09 73.27 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 116.908 2.188 . . . . 0.0 116.908 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -99.2 54.12 0.97 Allowed 'General case' 0 CA--C 1.566 1.595 0 CA-C-O 122.107 0.956 . . . . 0.0 112.376 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.3 tmtt? -143.45 -71.08 0.31 Allowed 'General case' 0 CA--C 1.557 1.213 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.2 t -70.85 -48.61 53.01 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . 0.267 34.7 tt0 -101.86 -126.25 0.2 Allowed 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 105.792 -1.929 . . . . 0.0 105.792 177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.9 tp -151.17 -73.12 0.16 Allowed 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 125.241 1.416 . . . . 0.0 107.241 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 104.028 -2.582 . . . . 0.0 104.028 177.655 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 31.4 p90 . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -150.2 116.05 5.59 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -155.62 95.54 1.68 Allowed 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 123.322 0.649 . . . . 0.0 109.892 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.457 0.3 OUTLIER 65.11 -59.82 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 C-N-CA 128.238 2.615 . . . . 0.0 116.467 177.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 tp -75.75 -37.54 59.2 Favored 'General case' 0 CA--C 1.555 1.142 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.1 t -60.43 -49.24 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 CA-C-N 119.878 1.217 . . . . 0.0 111.826 177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -72.86 -42.46 63.69 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.3 mmt -73.92 -20.15 60.47 Favored 'General case' 0 CA--C 1.564 1.518 0 N-CA-C 116.737 2.125 . . . . 0.0 116.737 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -66.7 -56.77 9.08 Favored 'General case' 0 N--CA 1.492 1.626 0 CA-C-N 120.622 1.556 . . . . 0.0 111.59 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.07 -33.07 69.89 Favored 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 177.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.0 m -64.51 -54.29 34.68 Favored 'General case' 0 CA--C 1.564 1.512 0 CA-C-N 119.714 1.143 . . . . 0.0 111.624 177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -65.15 -34.68 78.97 Favored 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 177.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -68.49 -53.19 24.93 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.164 1.347 . . . . 0.0 113.1 177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -71.53 -59.01 2.99 Favored 'General case' 0 CA--C 1.562 1.44 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -75.19 -35.69 61.51 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -117.42 44.88 2.03 Favored 'General case' 0 CA--C 1.566 1.579 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -162.55 -58.45 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.207 0 C-N-CA 125.611 1.564 . . . . 0.0 108.764 177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.3 t -71.32 -53.98 12.36 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 123.322 0.649 . . . . 0.0 112.672 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -118.07 76.59 1.08 Allowed 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 123.892 0.877 . . . . 0.0 108.768 177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -84.09 -67.48 0.79 Allowed 'General case' 0 N--CA 1.497 1.882 0 C-N-CA 123.652 0.781 . . . . 0.0 109.698 177.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.2 tp . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 177.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -144.49 132.91 21.96 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.32 108.89 4.5 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 102.946 -2.983 . . . . 0.0 102.946 177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 10.7 tp -45.93 -34.03 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 N-CA-C 117.74 2.496 . . . . 0.0 117.74 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -74.3 -49.35 23.36 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 123.916 0.887 . . . . 0.0 112.283 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.76 -44.81 90.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.216 1.006 . . . . 0.0 111.386 177.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -66.33 -45.91 78.63 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 124.148 0.979 . . . . 0.0 113.483 177.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.0 mmm -71.55 -18.81 62.23 Favored 'General case' 0 CA--C 1.564 1.487 0 N-CA-C 116.36 1.985 . . . . 0.0 116.36 177.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -66.74 -58.96 4.04 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 120.688 1.586 . . . . 0.0 110.983 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.32 -33.64 75.69 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 115.183 1.549 . . . . 0.0 115.183 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 m -63.37 -56.16 18.62 Favored 'General case' 0 CA--C 1.566 1.566 0 CA-C-N 119.796 1.18 . . . . 0.0 111.555 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -67.24 -38.65 85.55 Favored 'General case' 0 CA--C 1.567 1.633 0 N-CA-C 114.917 1.451 . . . . 0.0 114.917 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -66.09 -54.32 27.2 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 119.833 1.197 . . . . 0.0 113.688 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.73 -38.54 81.99 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 115.957 1.836 . . . . 0.0 115.957 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -76.62 -42.53 41.95 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 115.25 1.574 . . . . 0.0 115.25 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -96.44 48.73 1.09 Allowed 'General case' 0 CA--C 1.566 1.561 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -132.08 -43.16 0.97 Allowed 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 125.09 1.356 . . . . 0.0 112.432 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t -116.6 -91.98 0.53 Allowed 'General case' 0 CA--C 1.557 1.218 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.89 106.64 0.72 Allowed 'General case' 0 CA--C 1.556 1.185 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 14.3 tp -139.29 52.68 1.74 Allowed 'General case' 0 N--CA 1.494 1.744 0 C-N-CA 122.609 0.364 . . . . 0.0 111.281 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.4 mp . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 178.009 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -146.48 110.1 4.86 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -148.82 103.23 3.35 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.3 tp -81.38 21.13 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.582 2.19 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.35 -38.56 81.57 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.4 t -61.22 -47.18 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-N 119.165 0.893 . . . . 0.0 111.421 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -68.17 -44.39 76.04 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 177.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mmt -68.09 -19.93 64.89 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 177.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -67.36 -56.65 8.84 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 120.523 1.51 . . . . 0.0 111.436 177.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -70.29 -33.92 72.13 Favored 'General case' 0 N--CA 1.497 1.905 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 177.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.0 m -63.75 -55.08 25.88 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 119.904 1.229 . . . . 0.0 111.508 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -62.44 -40.31 96.16 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -64.91 -53.47 45.91 Favored 'General case' 0 CA--C 1.56 1.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.646 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -59.34 -50.04 75.52 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -64.12 -38.69 91.97 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 115.162 1.542 . . . . 0.0 115.162 177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -99.67 49.7 0.93 Allowed 'General case' 0 CA--C 1.571 1.759 0 C-N-CA 124.101 0.96 . . . . 0.0 111.981 177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.47 -66.45 0.2 Allowed 'General case' 0 CA--C 1.557 1.226 0 N-CA-C 105.437 -2.06 . . . . 0.0 105.437 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.1 t -68.89 -53.85 18.85 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 123.4 0.68 . . . . 0.0 112.264 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -101.85 71.66 1.31 Allowed 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 177.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.2 tp -87.17 -67.69 0.8 Allowed 'General case' 0 N--CA 1.494 1.727 0 C-N-CA 123.76 0.824 . . . . 0.0 110.533 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.272 9.2 tp . . . . . 0 N--CA 1.5 2.062 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 177.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.32 110.84 21.09 Favored 'General case' 0 N--CA 1.491 1.599 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -148.7 106.07 3.64 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 103.768 -2.679 . . . . 0.0 103.768 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.25 0.0 OUTLIER -55.0 -34.33 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.993 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 177.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.17 -50.55 18.81 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.205 1.002 . . . . 0.0 113.252 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.6 -43.89 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 C-N-CA 123.688 0.795 . . . . 0.0 111.349 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.63 -50.84 65.56 Favored 'General case' 0 CA--C 1.56 1.333 0 C-N-CA 124.372 1.069 . . . . 0.0 113.04 177.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -68.41 -25.51 65.08 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 116.077 1.88 . . . . 0.0 116.077 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -71.85 -52.83 15.47 Favored 'General case' 0 CA--C 1.563 1.455 0 CA-C-N 120.336 1.425 . . . . 0.0 110.009 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.72 -38.17 83.21 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 177.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -63.83 -51.96 62.29 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 119.733 1.152 . . . . 0.0 111.451 177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -66.42 -43.26 86.18 Favored 'General case' 0 CA--C 1.57 1.713 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.32 -38.1 89.83 Favored 'General case' 0 CA--C 1.563 1.455 0 N-CA-C 116.139 1.903 . . . . 0.0 116.139 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -91.54 -62.81 1.35 Allowed 'General case' 0 CA--C 1.558 1.27 0 C-N-CA 124.194 0.998 . . . . 0.0 113.485 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -71.92 -34.94 69.49 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.054 2.242 . . . . 0.0 117.054 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.94 61.25 0.74 Allowed 'General case' 0 CA--C 1.564 1.502 0 CA-C-N 119.63 1.105 . . . . 0.0 110.465 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -138.72 -63.47 0.54 Allowed 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 124.825 1.25 . . . . 0.0 110.254 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 t -77.46 -58.08 3.47 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 123.335 0.654 . . . . 0.0 111.917 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -120.86 93.07 3.91 Favored 'General case' 0 CA--C 1.556 1.205 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.75 -57.67 10.12 Favored 'General case' 0 CA--C 1.562 1.419 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 177.795 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . 0.28 84.3 m-85 . . . . . 0 N--CA 1.498 1.941 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -91.09 137.47 32.34 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.636 0.731 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -145.38 72.23 1.31 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.7 -1.592 . . . . 0.0 106.7 177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mm -137.01 -78.54 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.597 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.21 -32.14 73.0 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.6 t -61.74 -51.26 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.119 0 CA-C-N 119.812 1.187 . . . . 0.0 111.132 177.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -70.95 -40.6 71.91 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.1 mmm -70.03 -19.96 63.28 Favored 'General case' 0 CA--C 1.562 1.439 0 N-CA-C 116.496 2.036 . . . . 0.0 116.496 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -67.76 -59.19 3.51 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 120.677 1.581 . . . . 0.0 110.564 177.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.9 -33.99 76.81 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 177.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.9 m -62.91 -56.17 19.58 Favored 'General case' 0 CA--C 1.565 1.554 0 CA-C-N 120.006 1.276 . . . . 0.0 111.467 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -66.87 -39.39 87.53 Favored 'General case' 0 CA--C 1.566 1.594 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -68.2 -53.78 22.47 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -66.61 -49.48 66.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 115.049 1.5 . . . . 0.0 115.049 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -70.09 -58.62 3.61 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.775 0.83 . . . . 0.0 112.769 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 56.83 60.14 3.18 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.987 0.812 . . . . 0.0 110.959 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.313 28.0 tptp 82.29 -55.93 0.22 Allowed 'General case' 0 CA--C 1.564 1.517 0 C-N-CA 126.981 2.112 . . . . 0.0 111.938 -179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.2 t -123.43 -89.42 0.59 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -154.63 89.56 1.26 Allowed 'General case' 0 CA--C 1.559 1.313 0 N-CA-C 106.036 -1.838 . . . . 0.0 106.036 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.89 -72.63 0.6 Allowed 'General case' 0 N--CA 1.499 1.999 0 CA-C-N 118.817 0.735 . . . . 0.0 109.615 177.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.492 1.668 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -116.51 91.12 3.49 Favored 'General case' 0 N--CA 1.489 1.488 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -161.38 92.73 0.91 Allowed 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.516 0.726 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.425 6.2 tt 62.32 -41.25 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.926 0 N-CA-C 119.711 3.226 . . . . 0.0 119.711 177.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.6 mt -79.03 -37.27 39.52 Favored 'General case' 0 N--CA 1.484 1.251 0 N-CA-C 118.159 2.652 . . . . 0.0 118.159 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . 0.25 1.4 p -58.28 -50.89 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.136 0 CA-C-N 120.103 1.319 . . . . 0.0 113.911 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -71.19 -41.94 69.65 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 113.931 1.085 . . . . 0.0 113.931 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.9 mmt -71.06 -19.25 62.5 Favored 'General case' 0 CA--C 1.565 1.524 0 N-CA-C 116.325 1.972 . . . . 0.0 116.325 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -67.29 -59.71 3.19 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 120.625 1.557 . . . . 0.0 110.901 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.29 -31.26 69.64 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 115.876 1.806 . . . . 0.0 115.876 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 87.6 m -64.5 -54.55 30.63 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 120.046 1.294 . . . . 0.0 111.305 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -67.22 -39.91 86.32 Favored 'General case' 0 CA--C 1.569 1.704 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -64.16 -38.29 90.52 Favored 'General case' 0 CA--C 1.565 1.539 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -88.2 -64.71 1.11 Allowed 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 124.366 1.067 . . . . 0.0 113.339 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 22.4 m120 -72.02 -32.49 67.2 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.548 2.425 . . . . 0.0 117.548 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -106.96 64.04 0.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 CA-C-N 119.556 1.071 . . . . 0.0 109.911 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -138.25 -67.15 0.48 Allowed 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 124.822 1.249 . . . . 0.0 109.261 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.5 t -75.49 -52.06 11.54 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 177.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -116.17 94.63 4.73 Favored 'General case' 0 CA--C 1.554 1.134 0 N-CA-C 105.55 -2.018 . . . . 0.0 105.55 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -63.42 -53.51 51.24 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.8 tt . . . . . 0 N--CA 1.488 1.45 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 177.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -83.19 132.76 35.05 Favored 'General case' 0 CA--C 1.562 1.416 0 C-N-CA 123.818 0.847 . . . . 0.0 111.535 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -158.95 108.06 1.92 Allowed 'General case' 0 CA--C 1.552 1.029 0 N-CA-C 104.54 -2.393 . . . . 0.0 104.54 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -57.63 -24.96 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.11 -32.75 65.15 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -57.75 -51.82 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.275 0 CA-C-N 121.071 1.76 . . . . 0.0 112.157 179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -41.72 53.35 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 177.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.0 mmt -72.1 -20.45 61.64 Favored 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -67.5 -59.99 2.92 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.496 1.498 . . . . 0.0 111.03 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.4 -29.36 65.97 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 115.68 1.733 . . . . 0.0 115.68 177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.7 m -65.03 -55.69 17.45 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-N 120.434 1.47 . . . . 0.0 111.105 177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -67.13 -38.43 85.56 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -62.44 -56.88 13.95 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 119.698 1.135 . . . . 0.0 113.55 177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -65.3 -46.15 81.52 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 115.011 1.486 . . . . 0.0 115.011 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -65.51 -38.32 89.34 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -96.65 46.09 1.06 Allowed 'General case' 0 CA--C 1.569 1.687 0 C-N-CA 123.903 0.881 . . . . 0.0 112.516 177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -152.37 -61.82 0.16 Allowed 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 125.199 1.4 . . . . 0.0 108.795 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.7 t -77.78 -57.4 3.83 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -130.41 87.0 2.45 Favored 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.7 tt -91.67 -72.44 0.59 Allowed 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 115.426 -0.807 . . . . 0.0 108.865 177.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 178.539 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.98 114.7 27.34 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . 0.253 71.5 m-80 -129.67 -131.1 0.21 Allowed 'General case' 0 CA--C 1.56 1.359 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . 0.43 5.9 tt 63.98 -35.67 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 N-CA-C 119.156 3.021 . . . . 0.0 119.156 177.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.7 mt -71.21 -41.83 69.73 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -61.47 -46.38 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.165 0 C-N-CA 123.738 0.815 . . . . 0.0 111.372 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -67.47 -45.0 77.22 Favored 'General case' 0 N--CA 1.49 1.53 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 48.7 mmm -70.8 -17.65 62.76 Favored 'General case' 0 CA--C 1.564 1.513 0 N-CA-C 116.796 2.147 . . . . 0.0 116.796 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.64 -58.27 6.13 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-N 120.564 1.529 . . . . 0.0 111.578 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -70.88 -34.27 71.42 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 177.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 58.3 m -61.81 -53.65 53.02 Favored 'General case' 0 CA--C 1.565 1.525 0 CA-C-N 119.845 1.202 . . . . 0.0 112.178 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -65.74 -40.29 91.99 Favored 'General case' 0 CA--C 1.566 1.567 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -65.77 -54.98 19.81 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.656 1.116 . . . . 0.0 113.744 177.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -63.64 -48.05 78.82 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -73.72 -64.98 0.89 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.923 0.889 . . . . 0.0 111.543 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 t70 56.26 59.14 3.82 Favored 'General case' 0 N--CA 1.495 1.778 0 C-N-CA 123.783 0.833 . . . . 0.0 111.266 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . 0.31 56.9 tptt 80.12 -54.91 0.37 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 126.685 1.994 . . . . 0.0 112.331 -179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 t -119.67 -92.16 0.54 Allowed 'General case' 0 CA--C 1.56 1.351 0 N-CA-C 105.647 -1.982 . . . . 0.0 105.647 177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -155.49 91.57 1.33 Allowed 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.5 tp -87.39 -92.93 0.1 Allowed 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.187 0.903 . . . . 0.0 109.175 177.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 N--CA 1.495 1.796 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -145.43 104.81 3.95 Favored 'General case' 0 N--CA 1.486 1.367 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -162.69 117.88 1.81 Allowed 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 10.2 tp -54.46 -21.59 7.01 Favored 'Isoleucine or valine' 0 CA--C 1.582 2.193 0 N-CA-C 117.903 2.557 . . . . 0.0 117.903 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -64.98 -22.95 67.08 Favored 'General case' 0 CA--C 1.561 1.375 0 N-CA-C 117.396 2.369 . . . . 0.0 117.396 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.0 t -62.4 -52.66 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.157 0 CA-C-N 120.957 1.708 . . . . 0.0 110.504 177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -72.76 -38.12 67.45 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 177.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.1 mmt -70.18 -21.05 63.08 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -69.06 -56.18 8.52 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.563 1.528 . . . . 0.0 110.928 177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -69.05 -34.62 75.48 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.8 m -63.86 -54.11 40.09 Favored 'General case' 0 CA--C 1.564 1.506 0 CA-C-N 119.893 1.224 . . . . 0.0 111.663 177.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -63.84 -41.22 97.88 Favored 'General case' 0 CA--C 1.568 1.669 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.32 -54.47 40.14 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 119.463 1.029 . . . . 0.0 113.218 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -58.96 -45.9 89.36 Favored 'General case' 0 CA--C 1.566 1.586 0 N-CA-C 114.533 1.309 . . . . 0.0 114.533 177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -63.97 -38.24 90.35 Favored 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -107.43 59.34 0.62 Allowed 'General case' 0 CA--C 1.567 1.628 0 C-N-CA 124.024 0.93 . . . . 0.0 110.665 177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -145.37 -60.02 0.34 Allowed 'General case' 0 CA--C 1.558 1.25 0 C-N-CA 125.67 1.588 . . . . 0.0 107.7 177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 t -73.89 -57.03 4.25 Favored 'General case' 0 N--CA 1.493 1.713 0 CA-C-N 118.565 0.621 . . . . 0.0 112.579 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -126.52 92.13 3.5 Favored 'General case' 0 CA--C 1.555 1.157 0 N-CA-C 105.952 -1.87 . . . . 0.0 105.952 177.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.6 -54.25 38.91 Favored 'General case' 0 CA--C 1.562 1.425 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.5 mt . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 106.382 -1.71 . . . . 0.0 106.382 177.906 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -144.77 104.52 4.02 Favored 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -159.51 106.77 1.72 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 104.643 -2.354 . . . . 0.0 104.643 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 14.0 tt -59.12 -24.61 27.69 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.032 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.1 tp -72.48 -25.97 61.62 Favored 'General case' 0 CA--C 1.56 1.347 0 N-CA-C 116.836 2.162 . . . . 0.0 116.836 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -61.37 -51.49 72.41 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.226 0 CA-C-N 121.299 1.863 . . . . 0.0 111.309 177.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -77.51 -42.69 34.66 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.5 mmt -71.79 -22.25 61.6 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -68.12 -57.59 5.83 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 121.055 1.752 . . . . 0.0 110.843 177.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -67.76 -34.1 76.15 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.1 m -63.35 -54.93 29.28 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 120.191 1.359 . . . . 0.0 111.599 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -66.98 -42.52 84.94 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -64.98 -52.05 58.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 114.281 1.215 . . . . 0.0 114.281 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.91 -46.8 86.12 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.812 1.412 . . . . 0.0 114.812 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.33 -39.96 96.0 Favored 'General case' 0 CA--C 1.565 1.52 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 177.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -95.0 52.77 1.49 Allowed 'General case' 0 CA--C 1.57 1.746 0 C-N-CA 124.129 0.972 . . . . 0.0 111.552 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -146.48 -67.91 0.27 Allowed 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 125.582 1.553 . . . . 0.0 108.15 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.0 t -72.98 -53.61 10.76 Favored 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 123.385 0.674 . . . . 0.0 112.479 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -102.51 74.7 1.4 Allowed 'General case' 0 CA--C 1.562 1.42 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 177.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 tt -109.49 65.99 0.62 Allowed 'General case' 0 CA--C 1.572 1.798 0 C-N-CA 123.766 0.827 . . . . 0.0 108.803 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 18.6 tt . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 177.959 . . . . . . . . 0 0 . 1 stop_ save_