data_6wpb_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6wpb _Structure_validation_residue.Date_analyzed 2020-08-28 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 ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 2' ' ' ILE . 96.4 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.72 -43.75 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.31 -154.46 25.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 120.036 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.46 -45.77 96.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.22 0.1 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.025 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.661 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.68 -43.24 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.07 -148.4 48.25 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.905 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 110.339 -1.105 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 HD12 ' A' ' 2' ' ' ILE . 96.4 mt -61.53 -43.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.64 -57.17 0.02 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.257 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.3 -44.86 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -51.12 0.04 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 120.078 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.57 -43.33 98.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.7 -112.88 5.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.023 -1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -62.36 -44.2 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.45 95.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.916 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.78 -43.43 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.55 -109.62 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.039 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.61 -43.29 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 100.56 0.74 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.091 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm -59.45 -21.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.21 -83.62 0.05 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.085 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.72 -43.75 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.31 -154.46 25.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 120.036 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.46 -45.77 96.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.22 0.1 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.025 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.661 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.68 -43.24 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.07 -148.4 48.25 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.905 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 110.339 -1.105 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.53 -43.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.64 -57.17 0.02 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.257 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.3 -44.86 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -51.12 0.04 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 120.078 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.57 -43.33 98.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.7 -112.88 5.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.023 -1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -62.36 -44.2 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.45 95.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.916 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.78 -43.43 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.55 -109.62 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.039 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.61 -43.29 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 100.56 0.74 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.091 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm -59.45 -21.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.21 -83.62 0.05 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.085 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt . . . . . 0 N--CA 1.456 -0.148 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt . . . . . 0 CA--C 1.531 0.228 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm . . . . . 0 CA--C 1.52 -0.184 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.131 -1.587 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.2 mm -62.72 -43.75 98.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.882 0.372 . . . . 0.0 110.776 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 10.9 mt -62.62 -43.25 99.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -63.03 -41.64 99.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.876 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.34 -44.34 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.086 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.0 mt -62.66 -42.89 97.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.238 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -59.37 -48.48 81.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.258 -179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.0 -43.07 96.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.042 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -42.92 98.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.98 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.93 -51.15 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.039 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.36 -40.36 95.69 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.571 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.28 98.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.63 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.52 94.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.347 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.31 -154.46 25.11 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 120.036 -1.861 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.235 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.9 mt -60.46 -45.77 96.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.946 0.403 . . . . 0.0 111.079 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 8.3 mt -62.25 -42.18 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.391 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.58 -43.37 98.98 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.052 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.65 -42.2 95.59 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.084 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.9 mt -63.06 -43.32 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.239 0.542 . . . . 0.0 111.063 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -60.84 -44.87 96.38 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.715 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.59 98.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.263 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 92.1 mt -63.78 -43.28 97.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.197 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -39.52 94.74 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.78 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.59 -45.98 91.92 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.064 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.94 -39.23 93.19 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.06 -39.19 93.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.135 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.22 0.1 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.025 -1.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.661 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.5 mm -62.68 -43.24 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.658 0.266 . . . . 0.0 110.898 -179.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.9 mp -61.34 -43.03 99.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.71 -179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -63.32 -39.23 93.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.891 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.96 -45.24 90.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.956 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 93.7 mt -61.94 -42.88 96.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.818 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -56.58 -50.26 72.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.197 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.83 -43.16 94.0 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.994 0.426 . . . . 0.0 111.211 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.1 mt -63.37 -43.81 98.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.236 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.33 -52.11 65.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.999 0.428 . . . . 0.0 111.032 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -64.73 -41.5 95.9 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.65 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.0 -40.74 96.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.39 -38.82 92.39 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.108 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 62.07 -148.4 48.25 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.484 -1.047 . . . . 0.0 110.484 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.905 -1.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.536 0 N-CA-C 110.339 -1.105 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.53 -43.87 97.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.382 . . . . 0.0 110.773 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 3' ' ' LEU . 10.8 mp -61.54 -42.77 99.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -64.11 -39.78 94.78 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.75 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.58 -43.71 92.99 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.6 mt -62.45 -43.61 98.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -56.05 -50.53 70.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.33 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.4 -43.45 97.5 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.141 0.496 . . . . 0.0 111.016 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.1 mt -62.71 -43.43 98.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.034 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.39 -50.81 64.36 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.011 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -63.07 -41.33 99.41 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.43 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.56 98.18 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.041 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.96 95.93 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.106 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.64 -57.17 0.02 OUTLIER Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 120.257 -1.731 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.0 mm -62.3 -44.86 99.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.986 0.422 . . . . 0.0 111.021 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.07 -44.96 96.58 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.625 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -61.04 -42.9 99.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.041 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.61 -42.89 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.099 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.41 -43.36 98.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.93 -44.59 97.0 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.596 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.23 -42.88 99.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.174 0.512 . . . . 0.0 111.102 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.5 mt -63.97 -43.28 97.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.153 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.18 99.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.007 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.63 -46.0 91.94 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.154 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.15 92.67 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.49 -37.8 88.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.286 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -171.89 -51.12 0.04 OUTLIER Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.282 0 O-C-N 120.078 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.57 -43.33 98.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.114 0.483 . . . . 0.0 110.861 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.1 tp -62.0 -42.49 99.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.017 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -62.36 -42.75 99.65 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.997 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.43 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.025 0.44 . . . . 0.0 111.285 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.37 -43.48 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.061 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -61.16 -44.0 97.99 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.455 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.34 95.01 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.104 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.9 mt -63.95 -43.11 97.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.066 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.23 93.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.267 0.556 . . . . 0.0 110.625 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -60.23 -45.82 91.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.188 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -39.63 93.89 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.38 90.83 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.422 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 61.7 -112.88 5.17 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 120.023 -1.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 109.142 -1.583 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mm -62.36 -44.2 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.76 0.314 . . . . 0.0 110.71 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mt -62.06 -42.57 99.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.198 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -62.37 -43.02 99.8 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.121 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -43.06 98.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.092 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.67 -43.57 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.967 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -60.23 -44.63 95.03 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.72 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.03 99.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.89 -43.53 97.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.996 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.06 -41.5 98.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.811 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -59.69 -45.56 91.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.192 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.22 -41.61 99.15 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.076 -0.966 . . . . 0.0 110.944 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.56 91.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.325 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 60.45 95.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.916 -1.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.78 -43.43 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 0.0 110.428 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.17 -43.03 99.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.639 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.48 -42.0 99.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.143 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.16 94.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.898 0.38 . . . . 0.0 111.049 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.26 -43.41 98.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.539 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -61.61 -44.58 96.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.888 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.35 -42.02 99.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.026 0.441 . . . . 0.0 111.07 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 83.8 mt -63.78 -43.71 98.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.101 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.86 94.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.171 0.51 . . . . 0.0 110.704 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -60.7 -45.48 94.02 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.104 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.0 89.47 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.809 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.28 89.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.853 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.55 -109.62 0.29 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.382 0 O-C-N 120.039 -1.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 110.098 -1.201 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 34.1 mm -62.61 -43.29 98.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.941 0.4 . . . . 0.0 110.761 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.66 -43.63 98.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -62.72 -42.1 99.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.998 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.65 -42.96 98.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.195 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 90.5 mt -62.77 -43.52 98.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.439 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -60.53 -45.9 92.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.4 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -45.77 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.37 -43.79 98.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.978 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.39 -42.37 98.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.136 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -60.86 -45.43 94.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.401 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.81 92.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.642 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.94 -39.36 94.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.147 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.44 100.56 0.74 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 120.091 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 49.4 mm -59.45 -21.81 21.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.189 0.519 . . . . 0.0 111.076 -179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 tt -61.72 -43.69 98.37 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.529 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.52 -41.86 99.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.145 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.83 -43.51 98.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.994 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.47 -43.03 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.991 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -60.8 -44.51 96.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.512 -179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.98 -41.81 99.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.225 0.536 . . . . 0.0 111.096 -179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.97 -43.08 97.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.917 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.83 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.604 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -62.77 -42.03 99.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.52 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.41 92.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.521 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.89 -40.81 98.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.044 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -160.21 -83.62 0.05 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.305 0 O-C-N 120.085 -1.832 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_