data_2gof_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2gof _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.168 0.509 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.131 0.491 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.143 0.497 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.154 0.502 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.1 0.476 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.122 0.487 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.145 0.498 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.158 0.504 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.188 0.518 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.129 0.49 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.127 0.489 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.132 0.492 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.175 0.512 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.182 0.515 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.16 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.97 -36.65 58.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.52 -59.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.548 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.32 -30.02 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.524 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.54 -38.58 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.67 -43.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.48 -57.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.5 88.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.7 -48.21 52.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.98 -51.0 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.105 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.57 -37.53 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.66 -60.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.02 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -40.12 54.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.466 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -64.41 -43.47 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.86 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.47 66.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.9 -48.76 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.48 -51.38 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.178 0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.43 -36.71 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.0 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.02 65.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -41.26 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -62.22 -43.33 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.06 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.455 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.4 -38.94 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.41 -49.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.88 -50.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.03 -36.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.43 -60.05 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.51 -30.02 64.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.76 -38.66 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.5 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -66.11 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.517 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.46 -57.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.43 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.485 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.55 -49.71 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.52 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -52.43 -51.21 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.487 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.44 -36.26 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.69 -60.03 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -29.98 62.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.89 -38.08 61.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.75 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.03 -58.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.57 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.16 -50.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -49.9 -51.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.16 -37.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.529 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.77 -60.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -29.97 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -46.22 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.63 -41.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.08 -60.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.38 -38.55 29.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.554 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.23 -58.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -51.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.153 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.28 -38.1 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.58 -59.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.03 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.99 -47.8 23.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -56.57 -40.7 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.49 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.23 -54.5 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.47 94.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.34 -48.58 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.62 -50.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.164 0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.19 -38.09 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.98 68.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.512 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -44.0 41.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.488 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.44 -41.79 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.82 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.33 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.76 -48.55 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.72 -50.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.73 -36.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.87 -60.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 -30.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.77 -38.57 62.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.35 -43.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.93 -60.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.91 67.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.51 -56.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.48 -51.61 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.135 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.98 -36.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.28 -60.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -30.0 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.83 -38.26 58.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -66.31 -44.47 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -60.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.03 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -55.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -46.07 -52.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.144 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.2 -38.27 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.83 -59.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.492 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -30.04 69.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.92 -47.27 25.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.18 -41.18 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.466 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.2 -57.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.34 -40.25 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.77 -50.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.53 -51.99 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.145 0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.89 -36.14 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.91 -60.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.04 61.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.7 -38.29 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.0 -43.71 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.87 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.21 72.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.482 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.41 -47.9 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.06 -51.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.157 0.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.96 -36.76 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.514 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -30.0 63.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.88 -38.73 61.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.14 -43.38 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.26 -58.33 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.23 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.54 -49.54 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.468 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.13 -50.85 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.154 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.11 -37.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.68 -60.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.496 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.05 69.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -46.26 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.99 -41.17 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.94 -59.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -40.05 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.456 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.69 -49.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.36 -51.06 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.83 -36.79 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.82 -59.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.14 -29.96 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.06 -42.34 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -61.86 -43.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.521 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.1 -51.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -50.4 -51.72 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.468 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.131 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.72 -36.92 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.5 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.81 -60.01 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.511 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.15 -30.02 66.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -38.01 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -66.09 -43.64 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.527 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -59.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.3 -41.76 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.499 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -51.21 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -49.16 -51.92 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.51 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.128 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.13 -36.54 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.63 -60.01 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.0 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.512 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.35 -38.27 63.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.24 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.41 -60.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.11 62.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.88 -59.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -50.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.143 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.95 -37.09 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.26 -60.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.01 68.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -45.63 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.98 -41.64 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.57 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -40.67 67.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.57 -55.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.498 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -45.96 -51.67 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.74 -37.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.23 -59.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.496 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.94 67.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -41.61 50.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -63.51 -43.32 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.37 -60.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.449 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.52 84.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.38 -55.37 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.497 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -47.66 -51.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.64 -37.35 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -60.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.02 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -33.53 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -70.5 -41.98 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.35 -59.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.53 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.469 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.0 -47.02 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -50.88 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.61 -37.63 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.485 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.27 -59.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.497 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.96 67.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -31.93 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -71.91 -42.25 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.21 -60.02 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.93 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.6 -50.03 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.48 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.71 -50.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.168 0.509 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.131 0.491 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.143 0.497 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.154 0.502 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.1 0.476 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.122 0.487 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.145 0.498 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.158 0.504 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.188 0.518 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.129 0.49 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.127 0.489 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.132 0.492 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.175 0.512 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.182 0.515 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.16 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.97 -36.65 58.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.52 -59.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.548 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.32 -30.02 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.524 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.54 -38.58 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.67 -43.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.48 -57.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.5 88.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.7 -48.21 52.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.98 -51.0 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.105 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.57 -37.53 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.66 -60.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.02 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -40.12 54.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.466 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -64.41 -43.47 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.86 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.47 66.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.9 -48.76 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.48 -51.38 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.178 0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.43 -36.71 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.0 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.02 65.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -41.26 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -62.22 -43.33 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.06 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.455 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.4 -38.94 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.41 -49.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.88 -50.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.03 -36.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.43 -60.05 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.51 -30.02 64.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.76 -38.66 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.5 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.11 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.46 -57.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.43 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.485 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.55 -49.71 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.52 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.43 -51.21 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.44 -36.26 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.69 -60.03 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -29.98 62.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.89 -38.08 61.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.75 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.03 -58.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.57 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.16 -50.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -49.9 -51.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.16 -37.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.529 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.77 -60.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -29.97 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -46.22 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.63 -41.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.08 -60.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.38 -38.55 29.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.554 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.23 -58.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -51.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.153 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.28 -38.1 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.58 -59.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.03 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.99 -47.8 23.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -56.57 -40.7 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.49 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.23 -54.5 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.47 94.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.34 -48.58 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.62 -50.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.164 0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.19 -38.09 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.98 68.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.512 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -44.0 41.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.488 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.44 -41.79 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.82 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.33 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.76 -48.55 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.72 -50.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.73 -36.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.87 -60.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 -30.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.77 -38.57 62.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.35 -43.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.93 -60.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.91 67.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.51 -56.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.48 -51.61 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.135 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.98 -36.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.28 -60.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -30.0 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.83 -38.26 58.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -66.31 -44.47 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -60.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.03 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -55.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -46.07 -52.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.144 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.2 -38.27 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.83 -59.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.492 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -30.04 69.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.92 -47.27 25.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.18 -41.18 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.466 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.2 -57.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.34 -40.25 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.77 -50.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.53 -51.99 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.145 0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.89 -36.14 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.91 -60.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.04 61.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.7 -38.29 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.0 -43.71 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.87 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.21 72.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.482 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.41 -47.9 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.06 -51.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.157 0.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.96 -36.76 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.514 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -30.0 63.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.88 -38.73 61.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.14 -43.38 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.26 -58.33 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.23 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.54 -49.54 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.468 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.13 -50.85 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.154 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.11 -37.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.68 -60.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.496 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.05 69.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -46.26 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.99 -41.17 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.94 -59.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -40.05 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.456 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.69 -49.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.36 -51.06 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.83 -36.79 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.82 -59.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.14 -29.96 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.06 -42.34 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.86 -43.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.1 -51.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.4 -51.72 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.468 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.131 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.72 -36.92 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.5 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.81 -60.01 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.511 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.15 -30.02 66.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -38.01 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.09 -43.64 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -59.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.3 -41.76 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.499 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -51.21 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -49.16 -51.92 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.128 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.13 -36.54 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.63 -60.01 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.0 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.512 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.35 -38.27 63.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.24 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.41 -60.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.11 62.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.88 -59.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -50.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.143 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.95 -37.09 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.26 -60.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.01 68.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -45.63 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.98 -41.64 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.57 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -40.67 67.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.57 -55.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.498 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -45.96 -51.67 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.74 -37.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.23 -59.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.496 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.94 67.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -41.61 50.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -63.51 -43.32 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.37 -60.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.449 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.52 84.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.38 -55.37 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -47.66 -51.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.64 -37.35 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -60.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.02 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -33.53 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -70.5 -41.98 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.35 -59.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.53 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.469 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.0 -47.02 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -50.88 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.61 -37.63 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.485 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.27 -59.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.497 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.96 67.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -31.93 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -71.91 -42.25 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.21 -60.02 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.93 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.6 -50.03 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.48 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.71 -50.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.168 0.509 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.131 0.491 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.143 0.497 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.154 0.502 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.1 0.476 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.17 0 CA-C-O 121.122 0.487 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.149 0.5 . . . . 0.0 110.513 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.145 0.498 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 121.133 0.492 . . . . 0.0 110.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 121.137 0.494 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.157 0.503 . . . . 0.0 110.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.189 0 CA-C-O 121.137 0.494 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.158 0.504 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.201 0 CA-C-O 121.188 0.518 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.186 0 CA-C-O 121.129 0.49 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.127 0.489 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.198 0 CA-C-O 121.132 0.492 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.175 0.512 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.179 0 CA-C-O 121.126 0.489 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.132 0.491 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.182 0.515 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.183 0 CA-C-O 121.16 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.97 -36.65 58.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.491 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.52 -59.93 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.548 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.32 -30.02 64.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.524 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.54 -38.58 59.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.67 -43.68 93.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.483 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.48 -57.28 11.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.517 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.55 -42.5 88.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.7 -48.21 52.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.514 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.98 -51.0 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.75 -53.38 49.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.0 -43.2 14.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.16 -43.61 81.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.484 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.47 -60.01 2.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.511 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.0 -31.35 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.47 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -73.5 -35.63 65.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.524 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.418 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -69.5 -51.88 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.48 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.59 -55.68 22.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.527 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.105 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.57 -37.53 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.519 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.66 -60.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.501 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.23 -30.02 66.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.465 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -40.12 54.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.466 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -64.41 -43.47 97.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.473 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.86 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.531 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.69 -41.47 66.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.5 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.9 -48.76 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.524 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.48 -51.38 34.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.51 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -57.62 -42.33 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.49 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.6 -41.74 55.07 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.457 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.72 -41.73 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.477 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.71 -60.02 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.98 -32.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.534 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.25 -48.16 52.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.519 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.52 -51.22 70.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.46 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -47.97 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.495 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.574 -0.739 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.178 0.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.43 -36.71 55.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.0 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.486 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.65 -30.02 65.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.508 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -41.26 51.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.501 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -62.22 -43.33 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.473 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.06 -59.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.455 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.4 -38.94 45.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.492 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.41 -49.47 41.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.508 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.88 -50.81 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.507 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.95 -50.29 80.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.479 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -44.39 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.88 -41.91 85.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.548 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.23 -59.99 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -33.31 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.533 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.74 -50.29 44.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.476 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.38 -51.31 69.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.471 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.56 -53.35 48.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.507 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.547 -0.751 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.03 -36.7 58.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.43 -60.05 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.489 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.51 -30.02 64.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.76 -38.66 58.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.5 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.11 -43.81 92.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.517 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.46 -57.26 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.07 -43.43 86.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.485 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.55 -49.71 44.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.52 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.43 -51.21 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.28 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.97 -43.45 14.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.508 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.4 -42.84 84.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.511 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.93 -60.0 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.532 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -34.19 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.448 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.68 -37.41 76.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.527 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.03 -51.37 32.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.5 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.87 -52.13 60.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.509 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.605 -0.725 . . . . 0.0 . 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.137 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.44 -36.26 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.69 -60.03 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.489 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -29.98 62.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.89 -38.08 61.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.508 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.75 93.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.527 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.03 -58.36 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.469 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.61 -41.57 70.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.16 -50.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.489 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -49.9 -51.97 14.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.473 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -60.56 -54.85 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.534 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -43.34 14.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.482 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.5 -42.7 83.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.548 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.63 -60.04 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.449 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.95 -32.96 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.464 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.35 -52.4 22.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.517 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.16 -50.92 65.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.479 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.41 -52.45 59.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.482 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 . 179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.16 -37.51 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.529 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.77 -60.01 2.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.36 -29.97 69.26 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -46.22 30.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.473 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.63 -41.05 81.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.08 -60.01 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.501 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -49.38 -38.55 29.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.554 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.23 -58.55 4.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.44 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -51.21 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.5 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.01 -56.78 15.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.471 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.86 -42.63 37.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.526 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.35 -41.84 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.474 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.43 -59.96 2.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.514 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.44 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.519 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.28 -44.94 62.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.486 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -60.5 -52.26 65.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.525 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.32 -57.18 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.46 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.662 -0.699 . . . . 0.0 . 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.225 0 CA-C-O 121.153 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.28 -38.1 53.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.528 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.58 -59.98 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.528 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.19 -30.03 69.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.473 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.99 -47.8 23.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -56.57 -40.7 70.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.49 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -66.23 -54.5 25.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.536 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.78 -43.47 94.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.502 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.34 -48.58 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.527 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.62 -50.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.513 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.83 -47.32 89.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.517 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.05 -42.2 27.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.477 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.34 -42.64 81.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.476 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.37 -59.99 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.496 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.2 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.49 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.16 -48.49 43.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.37 -51.37 69.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.527 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.03 -57.56 11.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.505 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 . -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.164 0.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.19 -38.09 53.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.46 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.97 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -29.98 68.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.512 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -44.0 41.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.488 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -60.44 -41.79 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.533 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.82 -60.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.513 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.96 -40.33 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.76 -48.55 50.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.467 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.72 -50.81 40.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.5 -50.03 81.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.521 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.25 -42.57 14.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.494 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.1 -42.51 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.72 -60.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.468 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.38 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.513 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.49 -48.99 45.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.517 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -57.56 -51.31 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.54 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.16 -50.65 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.517 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 115.604 -0.726 . . . . 0.0 . 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 121.184 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.73 -36.37 58.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.516 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.87 -60.0 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.516 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 -30.04 63.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.508 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.77 -38.57 62.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.543 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.35 -43.32 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.523 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.93 -60.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.1 -40.91 67.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.51 -56.64 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.524 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.48 -51.61 4.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.514 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.32 -59.94 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.02 -41.92 12.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.478 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.15 -43.46 78.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.52 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.466 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.44 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.22 -48.43 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.505 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.22 -51.31 70.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.488 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -53.07 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.51 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 115.569 -0.741 . . . . 0.0 . 179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.174 0 CA-C-O 121.135 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.98 -36.97 59.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.48 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.28 -60.02 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.518 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.76 -30.0 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.514 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.83 -38.26 58.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -66.31 -44.47 91.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.516 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -60.02 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.45 -42.03 77.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.494 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -55.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.483 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -46.07 -52.16 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.516 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.93 -48.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.71 -41.32 14.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.551 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.68 -40.95 82.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.519 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.79 -60.02 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.512 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.03 -34.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.484 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.04 -52.49 28.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.99 -51.12 68.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.517 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.87 -53.8 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.474 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.58 -0.736 . . . . 0.0 . 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.166 0 CA-C-O 121.144 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.2 -38.27 54.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -55.83 -59.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.492 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.39 -30.04 69.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.461 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.92 -47.27 25.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -57.18 -41.18 77.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.466 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.2 -57.76 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.484 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.34 -40.25 67.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.502 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.77 -50.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.53 -51.99 17.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.04 -54.89 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.469 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.96 -42.98 13.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.539 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.38 -42.37 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.497 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.0 -60.01 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.512 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -31.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.47 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.35 -50.61 25.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.487 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -54.87 -50.86 67.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.81 -51.74 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.53 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 115.592 -0.731 . . . . 0.0 . 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.145 0.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.89 -36.14 56.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.509 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.91 -60.02 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.514 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.26 -30.04 61.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.492 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.7 -38.29 62.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.0 -43.71 92.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.507 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.87 -59.99 3.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.479 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.14 -42.21 72.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.482 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.41 -47.9 56.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.483 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -54.06 -51.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.488 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -61.26 -58.84 5.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.473 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.03 -43.16 14.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.469 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.01 -43.59 81.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.5 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.74 -60.01 2.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.02 -33.45 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.472 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.17 -48.18 53.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.492 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.24 -51.94 67.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.62 -52.93 53.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.613 -0.721 . . . . 0.0 . 179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.215 0 CA-C-O 121.157 0.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -71.96 -36.76 58.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.04 -59.96 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.514 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.02 -30.0 63.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.512 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.88 -38.73 61.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.525 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.14 -43.38 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.485 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -65.26 -58.33 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.528 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.76 -42.23 75.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.505 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.54 -49.54 45.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.468 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.13 -50.85 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.524 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.35 -60.01 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.503 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.92 -42.55 12.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.512 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -70.21 -43.38 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.477 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.05 -59.98 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.512 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.99 -32.57 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.504 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.44 -51.86 26.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.15 -51.18 67.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.495 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.26 -55.88 21.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.524 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 115.589 -0.732 . . . . 0.0 . -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.154 0.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -73.11 -37.81 53.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.521 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.68 -60.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.496 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.52 -30.05 69.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.497 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -46.26 30.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.512 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -58.99 -41.17 82.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.461 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.94 -59.97 3.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.535 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -40.05 65.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.456 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.69 -49.25 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.511 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -53.36 -51.06 44.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.9 -59.92 3.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.501 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.58 13.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.486 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.74 -42.4 80.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.486 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -56.08 -59.98 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.492 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -33.75 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.519 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -71.2 -47.45 57.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.498 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.49 -52.2 66.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.532 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.99 -56.04 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.49 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.622 -0.717 . . . . 0.0 . 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.211 0 CA-C-O 121.162 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.83 -36.79 53.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.82 -59.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.14 -29.96 65.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.531 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.06 -42.34 47.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.468 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -61.86 -43.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.521 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -63.89 -60.03 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.495 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.79 72.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.512 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.1 -51.37 30.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.464 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -50.4 -51.72 17.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.468 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.84 -49.99 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.498 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.3 -43.52 22.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.484 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.71 -42.95 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.497 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.76 -60.03 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.93 -31.76 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.552 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.82 -50.37 36.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.48 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -56.85 -51.33 69.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.18 -52.64 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.521 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.588 -0.733 . . . . 0.0 . -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.176 0 CA-C-O 121.131 0.491 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.72 -36.92 54.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.5 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.81 -60.01 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.511 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.15 -30.02 66.02 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.48 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -38.01 57.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.51 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -66.09 -43.64 92.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.527 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.53 -59.14 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.501 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.3 -41.76 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.499 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.89 -51.21 28.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.509 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -49.16 -51.92 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.51 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.85 -59.99 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.498 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -45.95 -44.36 14.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.491 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.86 -44.16 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.11 -59.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.49 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.54 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.51 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.45 -48.74 59.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.538 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -58.8 -51.65 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.453 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -60.97 -58.99 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.47 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.648 -0.705 . . . . 0.0 . -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.128 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.13 -36.54 56.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.63 -60.01 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.464 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.66 -30.0 62.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.512 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -74.35 -38.27 63.29 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.496 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -65.64 -43.24 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.41 -60.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.11 62.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.503 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.88 -59.99 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.47 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -46.02 -50.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.515 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.27 -56.08 19.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.451 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.67 -41.57 55.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -67.9 -41.37 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.494 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -54.93 -60.03 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.493 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.01 -34.35 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.531 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -36.78 77.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.494 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -70.31 -51.31 31.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.527 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -61.64 -56.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.491 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.618 -0.719 . . . . 0.0 . -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.143 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.95 -37.09 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.499 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -57.26 -60.09 2.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.01 68.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.496 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -45.63 33.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.498 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -59.98 -41.64 86.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.481 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.57 -59.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.554 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.23 -40.67 67.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.48 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -73.57 -55.09 13.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.498 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -45.96 -51.67 3.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.504 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.81 -46.53 90.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.53 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.54 -42.02 32.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.58 -42.4 83.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.535 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.34 -59.98 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.503 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.97 -32.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.3 -42.57 65.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.512 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -63.23 -51.81 64.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.485 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -62.9 -53.57 44.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.49 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.557 -0.747 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 CA-C-O 121.123 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.74 -37.35 55.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.539 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.23 -59.96 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.496 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.93 -29.94 67.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.521 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.02 -41.61 50.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.484 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' ILE . . . -63.51 -43.32 98.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.469 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.37 -60.05 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.449 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.81 -42.52 84.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.494 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.38 -55.37 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.478 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.426 ' N ' ' O ' ' A' ' 12' ' ' VAL . . . -47.66 -51.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.478 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -62.46 -60.0 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.499 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -42.87 13.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.445 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.67 -43.83 79.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.22 -59.98 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -32.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.455 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -70.94 -50.52 33.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.507 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -55.47 -50.75 69.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.501 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.69 -49.62 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.47 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.596 -0.729 . . . . 0.0 . -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.182 0 CA-C-O 121.15 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.64 -37.35 55.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.498 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.64 -60.0 2.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.479 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.02 -30.02 67.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.496 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -75.97 -33.53 59.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.487 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -70.5 -41.98 78.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.486 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.35 -59.92 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.06 -39.53 56.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.469 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -72.0 -47.02 57.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.97 -50.88 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.52 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -58.99 -49.9 81.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.468 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.01 -41.82 12.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.535 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -69.35 -41.92 81.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.521 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 23' ' ' SER . . . -55.74 -59.99 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.518 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -46.05 -34.19 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.509 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -69.26 -34.81 75.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.507 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 20' ' ' VAL . . . -72.02 -50.95 24.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.499 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -64.45 -49.13 82.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.506 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.619 -0.719 . . . . 0.0 . 179.978 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.205 0 CA-C-O 121.179 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . . . -72.61 -37.63 56.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.485 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . . . -56.27 -59.98 2.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.497 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.96 67.78 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.561 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . . . -76.0 -31.93 59.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.512 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . . . -71.91 -42.25 69.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.486 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . . . -64.21 -60.02 3.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.441 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.45 -40.93 65.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . . . -71.6 -50.03 42.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.48 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . . . -52.71 -50.49 41.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . . . -59.54 -50.08 81.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.465 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.91 -42.62 17.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.539 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . . . -68.45 -42.43 83.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.487 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . . . -55.28 -60.0 2.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . . . -45.96 -32.46 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.499 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . . . -72.27 -42.51 65.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.494 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . . . -62.7 -51.55 66.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.475 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . . . -63.03 -51.42 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.481 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 . -179.982 . . . . . . . . 0 0 . 1 stop_ save_