data_5ua7_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 5ua7 _Structure_validation_residue.Date_analyzed 2017-03-24 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.94 -41.74 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.17 -36.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.41 -52.0 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -56.97 -53.52 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -38.03 54.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.31 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.465 ' NZ ' ' HZ2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -59.59 -60.53 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.2 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.91 61.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.34 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.566 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.53 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HZ2' ' NZ ' ' A' ' 7' ' ' LYS . 1.8 ptpp? -49.94 -24.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.78 -53.56 56.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -73.6 -33.3 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.68 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -56.02 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -6.59 12.08 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -84.34 -68.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.716 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.28 -32.95 67.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.644 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.05 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -37.69 88.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -61.26 -26.35 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.63 -36.86 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -87.78 -26.62 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -71.62 -43.61 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.425 ' H ' ' H3 ' ' A' ' 1' ' ' GLY . 51.3 t -46.97 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 1' ' ' GLY . 88.9 t -47.51 -29.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.01 -51.88 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.7 mt -59.29 -42.44 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.94 -37.01 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.158 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -52.91 62.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.92 -25.78 64.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.48 -30.4 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.55 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -52.42 -25.79 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.35 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.695 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.0 mp -53.65 -42.98 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.45 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.99 -6.58 71.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -78.57 -68.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.696 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.34 -32.82 57.67 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -33.55 75.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -59.68 -34.87 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.665 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.27 -36.41 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 mtt -70.36 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 23' ' ' ASN . 1.2 m120 -49.31 -31.63 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' H2 ' ' H ' ' A' ' 2' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.423 ' H ' ' H2 ' ' A' ' 1' ' ' GLY . 4.3 t -77.89 -12.82 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.625 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.46 -46.95 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -46.93 83.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.41 -47.83 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.58 -38.43 81.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.346 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.264 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.18 -26.17 74.23 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.73 -29.98 61.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.666 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.7 -25.56 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' GLY . 14.9 ptmt -73.13 -31.53 64.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -58.24 -60.12 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 HD13 ' H ' ' A' ' 13' ' ' ILE . 2.8 mp -56.93 -36.01 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -34.86 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -85.93 0.28 87.68 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.58 -55.99 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.51 -36.13 75.48 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.52 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -62.44 -48.81 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -47.08 -27.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.1 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.0 -14.45 62.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.046 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t -73.56 -52.21 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.548 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.7 t -46.19 -46.86 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.17 -44.11 71.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.63 -52.09 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.645 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -36.62 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -31.68 72.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.01 -40.55 62.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.26 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -56.78 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -49.6 -24.95 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.839 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.29 -51.67 65.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 13' ' ' ILE . 3.9 mp -74.27 -52.73 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.23 -40.15 58.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -5.98 69.53 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -83.01 -65.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.9 -34.04 69.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.87 -49.52 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.609 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -59.54 -37.23 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.37 -54.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.622 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 mtt -56.56 -56.13 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.669 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.55 8.71 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.92 -31.23 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.0 t -58.1 -51.7 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -50.53 -28.99 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.1 mt -88.68 -53.46 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.18 -46.16 75.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -52.98 63.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.411 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.34 -28.4 72.25 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.72 -30.38 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -57.38 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -51.9 -25.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.58 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.445 HD11 ' H ' ' A' ' 13' ' ' ILE . 2.1 mp -73.55 -47.08 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.8 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.42 -7.41 28.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -83.88 -58.66 2.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.747 0.308 . . . . 0.0 110.767 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.62 -33.24 60.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.61 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -30.77 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.25 -49.57 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.432 ' C ' ' HN1' ' A' ' 24' ' ' NH2 . 16.3 mtt -59.78 -65.13 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -73.05 34.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.432 ' HN1' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.14 -51.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.28 -38.22 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.82 -41.23 90.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.586 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.06 -34.24 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.21 -55.16 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -35.1 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.102 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.35 -36.42 50.09 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.24 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -27.04 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' GLY . 26.3 pttt -66.11 -27.78 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -57.52 -59.9 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.442 HD11 ' H ' ' A' ' 13' ' ' ILE . 3.9 mp -58.99 -50.56 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.6 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -95.39 1.49 64.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.42 -54.2 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.51 -36.25 73.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.43 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -29.92 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -59.51 -37.05 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.86 -40.77 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.6 mtt -77.74 -51.74 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -47.28 -50.68 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -121.61 -26.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.751 0.31 . . . . 0.0 110.442 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.43 -50.82 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -52.5 -36.33 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mt -76.97 -58.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.64 -44.16 18.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.34 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -49.68 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.281 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -25.88 71.36 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.28 61.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.743 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.36 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.049 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' NZ ' ' CB ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -49.67 -27.49 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.711 -179.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.11 -59.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HD12 ' H ' ' A' ' 13' ' ' ILE . 3.9 mp -70.05 -50.21 49.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -31.81 68.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -6.44 72.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -85.01 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.47 -34.81 62.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.78 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.31 79.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -59.88 -25.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.741 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.53 -39.55 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.41 ' C ' ' HN1' ' A' ' 24' ' ' NH2 . 46.1 mtt -74.87 -55.2 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -66.5 4.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . 0.41 ' HN1' ' C ' ' A' ' 22' ' ' MET . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 t -145.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.37 -37.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.753 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.47 -35.46 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.52 -41.61 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -35.14 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.267 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -48.57 72.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.288 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -21.43 65.48 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.47 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -58.66 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.271 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.65 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.417 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.1 mp -66.91 -53.35 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.595 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.19 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.15 -11.13 60.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -76.67 -59.88 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.784 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.47 -39.21 75.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.91 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.627 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -34.36 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -65.19 -37.36 87.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.08 -26.87 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.2 mtt -102.42 -58.4 1.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -45.26 -32.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.62 -26.48 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.58 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -45.63 -50.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -54.01 -36.04 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.1 mt -79.3 -36.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -66.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.357 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.86 -34.74 45.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.56 -29.91 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -52.64 -24.31 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -25.47 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.491 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -57.85 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.412 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.7 mp -53.58 -49.63 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.8 -52.94 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 1.52 21.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -87.21 -70.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 110.699 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.57 -40.84 96.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.84 -30.21 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.483 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 25.5 p -59.01 -61.65 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.6 tptp -59.26 -39.65 83.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.71 -43.58 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.3 mtt -81.42 -59.52 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.42 -12.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t -53.67 -39.85 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.3 t -48.5 -51.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.16 -37.32 45.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.96 -48.08 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.34 -39.73 80.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.369 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -34.01 75.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.264 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.88 -30.04 68.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.34 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.08 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -24.52 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.793 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.34 -54.19 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD11 ' H ' ' A' ' 13' ' ' ILE . 4.1 mp -69.97 -55.3 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.15 -31.99 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.63 -15.81 65.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -64.51 -56.21 15.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.1 -38.72 92.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -34.16 76.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -42.03 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -66.17 -28.69 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.53 -47.3 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.8 mtt -67.1 -42.84 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.15 -20.74 63.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.94 -41.74 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.17 -36.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.41 -52.0 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -56.97 -53.52 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -51.8 -38.03 54.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.31 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HZ3' ' HZ2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -59.59 -60.53 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.2 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.91 61.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.34 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.566 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.53 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ3' ' A' ' 7' ' ' LYS . 1.8 ptpp? -49.94 -24.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.78 -53.56 56.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -73.6 -33.3 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.68 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -56.02 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -6.59 12.08 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -84.34 -68.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.716 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.28 -32.95 67.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.644 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.05 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -37.69 88.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -61.26 -26.35 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.63 -36.86 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -87.78 -26.62 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -71.62 -43.61 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.3 t -46.97 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 1' ' ' GLY . 88.9 t -47.51 -29.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.01 -51.88 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.7 mt -59.29 -42.44 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.94 -37.01 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.158 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -52.91 62.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.92 -25.78 64.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.48 -30.4 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.55 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -52.42 -25.79 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.35 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.695 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.0 mp -53.65 -42.98 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.45 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.99 -6.58 71.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -78.57 -68.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.696 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.34 -32.82 57.67 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -33.55 75.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -59.68 -34.87 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.665 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.27 -36.41 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 mtt -70.36 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -49.31 -31.63 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 t -77.89 -12.82 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.46 -46.95 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -46.93 83.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.41 -47.83 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.58 -38.43 81.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.346 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.264 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.18 -26.17 74.23 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.73 -29.98 61.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.666 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.7 -25.56 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -73.13 -31.53 64.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -58.24 -60.12 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.8 mp -56.93 -36.01 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -34.86 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.93 0.28 87.68 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.58 -55.99 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.51 -36.13 75.48 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.52 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -62.44 -48.81 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -47.08 -27.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.1 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.0 -14.45 62.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.046 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t -73.56 -52.21 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.548 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.7 t -46.19 -46.86 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.17 -44.11 71.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.63 -52.09 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.645 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -52.87 -36.62 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -31.68 72.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.01 -40.55 62.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.26 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -56.78 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -49.6 -24.95 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.839 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.29 -51.67 65.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -74.27 -52.73 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.23 -40.15 58.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -5.98 69.53 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -83.01 -65.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.9 -34.04 69.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.87 -49.52 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.609 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -59.54 -37.23 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.37 -54.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.622 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 mtt -56.56 -56.13 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.669 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.55 8.71 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.92 -31.23 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.0 t -58.1 -51.7 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -50.53 -28.99 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.1 mt -88.68 -53.46 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.18 -46.16 75.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -52.98 63.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.411 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.34 -28.4 72.25 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -74.72 -30.38 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -57.38 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -51.9 -25.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.58 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.1 mp -73.55 -47.08 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.8 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.42 -7.41 28.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -83.88 -58.66 2.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.747 0.308 . . . . 0.0 110.767 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.62 -33.24 60.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.61 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -30.77 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.25 -49.57 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.3 mtt -59.78 -65.13 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -73.05 34.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.14 -51.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.28 -38.22 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.82 -41.23 90.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.586 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.06 -34.24 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.21 -55.16 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -35.1 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.102 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.35 -36.42 50.09 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.24 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -27.04 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' GLY . 26.3 pttt -66.11 -27.78 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -57.52 -59.9 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -58.99 -50.56 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.6 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -95.39 1.49 64.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.42 -54.2 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.51 -36.25 73.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.43 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -29.92 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -59.51 -37.05 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.86 -40.77 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.6 mtt -77.74 -51.74 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -47.28 -50.68 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -121.61 -26.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.751 0.31 . . . . 0.0 110.442 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 3' ' ' VAL . 2.3 t -64.43 -50.82 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -52.5 -36.33 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mt -76.97 -58.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.64 -44.16 18.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -49.68 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.281 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -25.88 71.36 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.28 61.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.743 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.36 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.049 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -49.67 -27.49 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.711 -179.541 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.11 -59.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -70.05 -50.21 49.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -31.81 68.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -6.44 72.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -85.01 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.47 -34.81 62.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.78 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.31 79.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -59.88 -25.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.741 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.53 -39.55 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.1 mtt -74.87 -55.2 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -66.5 4.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 t -145.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.37 -37.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.753 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.47 -35.46 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.52 -41.61 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.85 -35.14 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -48.57 72.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.288 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -21.43 65.48 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.47 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -58.66 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.271 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.65 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -66.91 -53.35 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.595 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.19 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.15 -11.13 60.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -76.67 -59.88 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.784 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.47 -39.21 75.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.91 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.627 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -34.36 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -65.19 -37.36 87.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.08 -26.87 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.2 mtt -102.42 -58.4 1.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -45.26 -32.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.62 -26.48 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.58 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -45.63 -50.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -54.01 -36.04 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.1 mt -79.3 -36.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -66.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.357 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.86 -34.74 45.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.56 -29.91 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -52.64 -24.31 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -25.47 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.491 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -57.85 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.7 mp -53.58 -49.63 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.8 -52.94 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 1.52 21.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -87.21 -70.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 110.699 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.57 -40.84 96.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.84 -30.21 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.483 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 25.5 p -59.01 -61.65 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.6 tptp -59.26 -39.65 83.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.71 -43.58 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.3 mtt -81.42 -59.52 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -50.42 -12.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t -53.67 -39.85 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.3 t -48.5 -51.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.16 -37.32 45.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.96 -48.08 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.34 -39.73 80.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.369 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -34.01 75.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.264 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.88 -30.04 68.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.34 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.08 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -24.52 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.793 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.34 -54.19 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -69.97 -55.3 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.15 -31.99 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.63 -15.81 65.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -64.51 -56.21 15.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.1 -38.72 92.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -34.16 76.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -42.03 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -66.17 -28.69 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.53 -47.3 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.8 mtt -67.1 -42.84 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.15 -20.74 63.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.94 -41.74 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.794 0.33 . . . . 0.0 110.569 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -52.17 -36.79 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.665 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -68.41 -52.0 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.522 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 71.9 mt -56.97 -53.52 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.555 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -51.8 -38.03 54.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.31 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' HZ3' ' HZ2' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -59.59 -60.53 3.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.2 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -61.3 -22.91 61.57 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.69 -30.34 61.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.839 0.352 . . . . 0.0 110.566 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.53 12.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.827 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HZ2' ' HZ3' ' A' ' 7' ' ' LYS . 1.8 ptpp? -49.94 -24.66 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.793 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -59.78 -53.56 56.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.601 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.487 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -73.6 -33.3 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.68 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.43 -56.02 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.606 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.68 -6.59 12.08 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -84.34 -68.68 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.761 0.315 . . . . 0.0 110.716 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.28 -32.95 67.15 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.644 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.01 -40.05 57.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.05 -37.69 88.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.402 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -61.26 -26.35 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.9 t -77.63 -36.86 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.671 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 42.2 mtm -87.78 -26.62 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -71.62 -43.61 65.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.563 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.018 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 51.3 t -46.97 -19.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.812 0.339 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' N ' ' C ' ' A' ' 1' ' ' GLY . 88.9 t -47.51 -29.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.758 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -71.01 -51.88 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.661 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 35.7 mt -59.29 -42.44 87.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -61.94 -37.01 83.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.158 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -52.91 62.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.323 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -60.92 -25.78 64.51 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.48 -30.4 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.817 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -56.55 16.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.781 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -52.42 -25.79 10.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.74 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -56.35 -59.43 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.695 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.0 mp -53.65 -42.98 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.525 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.95 -33.45 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.553 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.99 -6.58 71.69 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -78.57 -68.43 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.801 0.334 . . . . 0.0 110.696 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.34 -32.82 57.67 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.749 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.14 -51.37 70.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.6 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -33.55 75.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.577 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -59.68 -34.87 73.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.665 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 93.5 t -77.27 -36.41 24.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.587 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 29.7 mtt -70.36 -63.25 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' ND2' ' N ' ' A' ' 23' ' ' ASN . 1.2 m120 -49.31 -31.63 9.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.538 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 4.3 t -77.89 -12.82 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 0.0 110.625 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 t -58.46 -46.95 89.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.685 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.63 -46.93 83.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.612 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.41 -47.83 90.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.617 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.568 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -59.58 -38.43 81.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.346 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.69 -35.5 78.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.264 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.18 -26.17 74.23 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.73 -29.98 61.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.666 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.7 -25.56 11.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.991 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -73.13 -31.53 64.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.761 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -58.24 -60.12 4.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.717 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.8 mp -56.93 -36.01 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.481 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.92 -34.86 64.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.662 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.93 0.28 87.68 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -80.58 -55.99 4.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.794 0.331 . . . . 0.0 110.656 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -59.51 -36.13 75.48 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.713 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.52 94.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.513 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -34.68 78.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.52 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -62.44 -48.81 78.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.8 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 96.0 t -47.08 -27.21 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.628 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.3 mtt -79.1 -57.68 3.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.621 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -68.0 -14.45 62.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 120.046 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 45.3 t -73.56 -52.21 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.548 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.7 t -46.19 -46.86 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.757 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -54.17 -44.11 71.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.474 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.8 mt -68.63 -52.09 39.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.645 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -52.87 -36.62 59.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.22 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -31.68 72.37 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.334 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.01 -40.55 62.21 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.26 61.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 110.774 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.73 -56.78 17.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.036 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -49.6 -24.95 2.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.839 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -55.29 -51.67 65.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.48 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.522 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -74.27 -52.73 19.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.607 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.23 -40.15 58.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.52 -5.98 69.53 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -83.01 -65.13 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.331 . . . . 0.0 110.738 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.9 -34.04 69.4 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.765 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.87 -49.52 65.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.609 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.09 -29.54 69.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.569 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -59.54 -37.23 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.684 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.37 -54.65 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.622 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 53.6 mtt -56.56 -56.13 25.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.669 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -72.55 8.71 1.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.624 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.92 -31.23 6.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.589 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.0 t -58.1 -51.7 67.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -50.53 -28.99 9.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.1 mt -88.68 -53.46 9.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.682 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -55.18 -46.16 75.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.445 -179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.04 -52.98 63.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.411 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.34 -28.4 72.25 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -74.72 -30.38 61.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.732 0.301 . . . . 0.0 110.728 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.12 -57.38 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ptpp? -51.9 -25.04 7.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.904 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -59.58 -59.82 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.74 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.641 ' H ' HD12 ' A' ' 13' ' ' ILE . 2.1 mp -73.55 -47.08 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.686 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.8 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.42 -7.41 28.22 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -83.88 -58.66 2.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.747 0.308 . . . . 0.0 110.767 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 pp -54.62 -33.24 60.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.793 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.07 -47.61 84.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.685 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.27 -30.77 71.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.559 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -59.69 -30.72 68.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.716 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.25 -49.57 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.612 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.3 mtt -59.78 -65.13 0.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.575 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -73.05 34.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.304 0 O-C-N 120.037 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.4 t -146.14 -51.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t -69.28 -38.22 77.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.661 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -59.82 -41.23 90.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.586 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.1 mt -64.06 -34.24 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.598 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.21 -55.16 13.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.7 -35.1 77.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.102 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.35 -36.42 50.09 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.03 -30.24 70.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.829 0.347 . . . . 0.0 110.781 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.99 -27.04 65.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' GLY . 26.3 pttt -66.11 -27.78 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.816 0.341 . . . . 0.0 110.652 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -57.52 -59.9 4.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -58.99 -50.56 79.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.614 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.6 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.635 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 11' ' ' LYS . . . -95.39 1.49 64.42 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 28.9 t-80 -82.42 -54.2 5.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -58.51 -36.25 73.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.775 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.43 63.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.612 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.33 -29.92 71.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.514 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.8 tptt -59.51 -37.05 77.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.696 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -62.86 -40.77 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.537 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 26.6 mtt -77.74 -51.74 10.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.648 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -47.28 -50.68 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.618 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.332 0 O-C-N 120.047 -1.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -121.61 -26.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.751 0.31 . . . . 0.0 110.442 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.416 ' H ' HG23 ' A' ' 3' ' ' VAL . 2.3 t -64.43 -50.82 74.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.621 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -52.5 -36.33 54.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.624 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 28.0 mt -76.97 -58.88 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -46.64 -44.16 18.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.34 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.7 -49.68 75.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.281 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -65.26 -25.88 71.36 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.28 61.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.759 0.314 . . . . 0.0 110.743 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.23 -48.36 76.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.049 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -49.67 -27.49 4.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.711 -179.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -58.11 -59.49 5.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.9 mp -70.05 -50.21 49.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.703 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.5 -31.81 68.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.682 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -88.89 -6.44 72.29 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -85.01 -66.02 0.94 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.84 0.352 . . . . 0.0 110.799 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.47 -34.81 62.23 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.79 -41.78 74.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.691 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.31 79.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.622 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.8 tptm -59.88 -25.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.741 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.0 t -83.53 -39.55 15.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.1 mtt -74.87 -55.2 6.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.654 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -66.5 4.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.579 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 120.111 -1.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.22 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.0 t -145.66 -74.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.8 0.333 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.37 -37.88 30.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.753 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.47 -35.46 72.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.52 -41.61 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.499 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.569 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -66.85 -35.14 79.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.267 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -48.57 72.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.288 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -63.89 -21.43 65.48 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.21 -30.47 60.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.774 0.321 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.4 -58.66 6.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.271 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.9 pttp -56.35 -24.01 41.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.909 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -54.65 -58.98 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.77 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.488 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -66.91 -53.35 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.595 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.96 -31.19 60.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -92.15 -11.13 60.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -76.67 -59.88 2.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.784 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 pp -57.47 -39.21 75.86 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.725 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.72 -46.91 59.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.627 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -68.16 -34.36 76.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.681 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -65.19 -37.36 87.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -54.08 -26.87 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 11.2 mtt -102.42 -58.4 1.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -45.26 -32.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.561 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 120.023 -1.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 87.4 t -72.62 -26.48 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 0.0 110.58 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.5 t -45.63 -50.45 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.817 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -54.01 -36.04 62.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.655 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.1 mt -79.3 -36.99 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.589 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.565 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -72.94 -30.72 64.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.234 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -66.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.357 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.86 -34.74 45.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.56 -29.91 61.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.598 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 6' ' ' LEU . . . -52.64 -24.31 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.28 -25.47 62.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 110.491 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -57.9 -57.85 10.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.537 ' H ' HD12 ' A' ' 13' ' ' ILE . 3.7 mp -53.58 -49.63 54.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.693 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.8 -52.94 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.61 1.52 21.16 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -87.21 -70.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.756 0.312 . . . . 0.0 110.699 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.57 -40.84 96.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.724 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.84 -30.21 32.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.483 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.509 ' OG ' ' N ' ' A' ' 20' ' ' LYS . 25.5 p -59.01 -61.65 2.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.509 ' N ' ' OG ' ' A' ' 19' ' ' SER . 12.6 tptp -59.26 -39.65 83.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 76.3 t -52.71 -43.58 44.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.373 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.3 mtt -81.42 -59.52 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.42 -12.84 0.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.095 -1.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t -53.67 -39.85 40.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.504 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.3 t -48.5 -51.16 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.727 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.16 -37.32 45.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.713 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.96 -48.08 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.699 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' O ' HD13 ' A' ' 6' ' ' LEU . 0.2 OUTLIER -58.34 -39.73 80.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.369 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.32 -34.01 75.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.264 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -70.88 -30.04 68.54 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.94 -30.34 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.798 0.333 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.74 -50.08 71.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.058 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -24.52 2.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.793 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.34 -54.19 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.596 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.497 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.1 mp -69.97 -55.3 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.565 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.15 -31.99 21.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.662 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -85.63 -15.81 65.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.8 t-80 -64.51 -56.21 15.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.731 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.1 -38.72 92.08 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.775 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.28 -34.16 76.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.705 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.38 -42.03 95.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -66.17 -28.69 68.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.826 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 98.7 t -70.53 -47.3 65.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.627 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 44.8 mtt -67.1 -42.84 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.578 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -70.15 -20.74 63.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.538 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_