data_2m7r_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 2m7r _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.844 0.354 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.777 0.322 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 9' ' ' ILE . 96.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.664 0.268 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.719 0.295 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.73 -36.05 81.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.65 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -61.77 -44.6 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -62.48 -44.36 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.21 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.51 -25.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.14 -36.96 85.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.713 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.97 -44.79 96.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -61.45 -43.43 98.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.23 96.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt -89.85 -0.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -36.18 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.661 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.51 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -60.88 -35.61 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.514 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.32 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt -83.4 -7.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.2 -35.52 80.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.68 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.6 -46.6 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -61.76 -44.76 96.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.0 89.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt -103.78 -18.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 54.21 24.45 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.59 ' CD1' ' C ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.584 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.538 ' H ' ' C ' ' A' ' 3' ' ' CGU . 90.6 t80 -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -60.95 -42.11 97.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.28 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt -105.42 -14.58 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 53.22 29.74 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.563 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.589 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.401 OE22 OE22 ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.589 ' H ' ' C ' ' A' ' 3' ' ' CGU . 84.7 t80 -88.06 -36.71 16.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -61.03 -38.73 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.566 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' N ' OE11 ' A' ' 7' ' ' CGU . . . -64.1 -38.01 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.31 -125.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' N ' OE21 ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.421 ' H ' ' H1 ' ' A' ' 1' ' ' GLY . 15.6 pt-20 -154.45 22.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.612 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.651 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.542 ' CD1' ' N ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' N ' ' CD1' ' A' ' 4' ' ' CGU . 91.5 t80 -60.57 -43.95 96.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -61.75 -44.26 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.28 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt -82.94 -17.41 11.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.78 -70.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.648 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.648 ' H ' ' C ' ' A' ' 3' ' ' CGU . 83.4 t80 -60.49 -48.2 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -64.93 -35.0 79.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.97 97.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -85.27 -10.39 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.992 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 88.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.21 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -60.82 -43.89 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.77 84.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt -95.67 -26.07 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 54.89 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.713 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.66 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.45 ' H ' ' C ' ' A' ' 3' ' ' CGU . 61.6 t80 -88.58 -35.9 16.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.556 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.98 89.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt -83.4 -17.11 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.69 -38.33 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.612 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.652 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.08 -43.74 95.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' A' ' 3' ' ' CGU . 79.8 p -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.554 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.591 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -83.68 -70.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.04 -39.3 90.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.34 -47.09 87.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -61.65 -35.58 78.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.06 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -89.46 -16.12 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.71 -37.66 85.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.673 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.34 -47.46 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -62.06 -42.21 98.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.9 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt -100.66 -13.48 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' N ' OE11 ' A' ' 4' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.613 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.7 pm0 -63.69 -23.48 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.67 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . 0.415 OE11 ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -61.69 -46.09 91.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -62.38 -28.73 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.64 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -79.51 -7.8 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.1 pm0 -151.79 13.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -60.59 -47.54 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -43.32 93.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.07 89.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm -79.6 -75.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.711 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.58 -47.58 85.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -43.45 95.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.33 56.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.497 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HD12 HG21 ' A' ' 9' ' ' ILE . 96.7 mt -71.97 -76.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.078 -1.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 55.0 mp0 -86.05 76.95 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -62.56 -36.99 84.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.41 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt -88.97 -8.74 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -78.0 144.72 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.671 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -62.76 -25.71 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -60.12 -35.07 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.97 -64.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.15 -36.67 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . 0.681 ' CD2' ' H ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.66 -46.47 90.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -59.36 -42.43 91.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.95 98.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -80.18 -7.55 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 50.9 78.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -89.58 -30.35 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -62.94 -36.63 84.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CGU . . . . . 0.57 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . -64.2 -39.33 93.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.64 -21.23 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.844 0.354 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.777 0.322 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.664 0.268 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.719 0.295 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.73 -36.05 81.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.506 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -61.77 -44.6 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -62.48 -44.36 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.21 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.51 -25.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.14 -36.96 85.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.504 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.97 -44.79 96.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -61.45 -43.43 98.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.23 96.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt -89.85 -0.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -36.18 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.569 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.51 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -60.88 -35.61 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.514 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.32 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt -83.4 -7.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.2 -35.52 80.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.486 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.6 -46.6 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -61.76 -44.76 96.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.0 89.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt -103.78 -18.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 54.21 24.45 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.59 ' CD1' ' C ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.584 ' CD1' ' C ' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' CGU . 90.6 t80 -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -60.95 -42.11 97.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.28 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt -105.42 -14.58 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 53.22 29.74 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.563 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.546 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' H ' ' C ' ' A' ' 3' ' ' CGU . 84.7 t80 -88.06 -36.71 16.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -61.03 -38.73 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.566 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' N ' OE11 ' A' ' 7' ' ' CGU . . . -64.1 -38.01 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.31 -125.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' N ' OE21 ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -154.45 22.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.612 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.59 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.542 ' CD1' ' N ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' N ' ' CD1' ' A' ' 4' ' ' CGU . 91.5 t80 -60.57 -43.95 96.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -61.75 -44.26 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.28 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt -82.94 -17.41 11.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.78 -70.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.611 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.611 ' H ' ' C ' ' A' ' 3' ' ' CGU . 83.4 t80 -60.49 -48.2 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -64.93 -35.0 79.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.97 97.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -85.27 -10.39 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.992 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 88.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.21 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -60.82 -43.89 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.77 84.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt -95.67 -26.07 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 54.89 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.713 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.523 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 3' ' ' CGU . 61.6 t80 -88.58 -35.9 16.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.556 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.98 89.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt -83.4 -17.11 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.69 -38.33 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.612 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.555 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CGU . . . . . 0.408 HE22 ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.08 -43.74 95.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.554 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.408 ' CD1' HE22 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.591 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -83.68 -70.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.04 -39.3 90.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.34 -47.09 87.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -61.65 -35.58 78.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.06 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -89.46 -16.12 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.71 -37.66 85.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.518 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.34 -47.46 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -62.06 -42.21 98.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.9 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt -100.66 -13.48 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.695 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.7 pm0 -63.69 -23.48 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -61.69 -46.09 91.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -62.38 -28.73 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.64 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -79.51 -7.8 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.473 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 2.1 pm0 -151.79 13.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -60.59 -47.54 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -43.32 93.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.07 89.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm -79.6 -75.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.513 OE22 ' N ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.58 -47.58 85.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -43.45 95.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.33 56.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.497 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.97 -76.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.078 -1.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 55.0 mp0 -86.05 76.95 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -62.56 -36.99 84.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.41 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt -88.97 -8.74 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -78.0 144.72 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.671 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -62.76 -25.71 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -60.12 -35.07 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.97 -64.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.15 -36.67 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CGU . . . . . 0.543 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.66 -46.47 90.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -59.36 -42.43 91.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.95 98.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -80.18 -7.55 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 50.9 78.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -89.58 -30.35 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -62.94 -36.63 84.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CGU . . . . . 0.57 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . -64.2 -39.33 93.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.64 -21.23 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.844 0.354 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.72 0.295 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.782 0.325 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.753 0.311 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.86 0.362 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.829 0.347 . . . . 0.0 110.554 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.745 0.307 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.741 0.305 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.784 0.326 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.872 0.368 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.714 0.292 . . . . 0.0 110.463 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.728 0.299 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.791 0.329 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.862 0.363 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.777 0.322 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.818 0.342 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.804 0.335 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.071 0 CA-C-O 120.664 0.268 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 0 CA-C-O 120.719 0.295 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.347 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.73 -36.05 81.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.684 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.506 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -61.77 -44.6 96.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -62.48 -44.36 96.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -38.21 89.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -91.51 -25.57 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.974 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 109.566 -1.413 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -65.14 -36.96 85.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.51 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.504 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.97 -44.79 96.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.461 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 t -61.45 -43.43 98.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.574 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.29 -41.23 96.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.9 pt -89.85 -0.53 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.537 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 120.027 -1.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.285 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.05 -36.18 79.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.801 0.334 . . . . 0.0 110.53 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.569 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -61.51 -43.48 98.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.501 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -60.88 -35.61 77.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.514 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.02 -40.32 96.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.526 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.0 pt -83.4 -7.55 10.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.072 -1.642 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.26 0 N-CA-C 109.611 -1.395 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.2 -35.52 80.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.542 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.486 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -60.6 -46.6 89.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.619 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -61.76 -44.76 96.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.573 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.0 89.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.6 pt -103.78 -18.39 6.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.564 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.914 -1.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 54.21 24.45 4.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.35 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.59 ' CD1' ' C ' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.584 ' C ' ' CD1' ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 3' ' ' CGU . 90.6 t80 -59.92 -45.86 91.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.3 m -60.95 -42.11 97.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.546 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.44 -39.28 94.07 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.634 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.7 pt -105.42 -14.58 8.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 120.058 -1.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 109.675 -1.37 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 53.22 29.74 8.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.369 . . . . 0.0 110.563 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.546 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.546 ' H ' ' C ' ' A' ' 3' ' ' CGU . 84.7 t80 -88.06 -36.71 16.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -61.03 -38.73 87.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.566 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.48 ' N ' OE11 ' A' ' 7' ' ' CGU . . . -64.1 -38.01 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 pt -101.31 -125.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.561 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.981 -1.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.519 ' N ' OE21 ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -154.45 22.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.783 0.325 . . . . 0.0 110.612 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.59 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.542 ' CD1' ' N ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' N ' ' CD1' ' A' ' 4' ' ' CGU . 91.5 t80 -60.57 -43.95 96.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.622 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 t -61.75 -44.26 97.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.52 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.28 95.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.554 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.0 pt -82.94 -17.41 11.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.46 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.368 0 O-C-N 120.09 -1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 109.451 -1.459 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -55.78 -70.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.751 0.31 . . . . 0.0 110.563 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.611 ' C ' ' H ' ' A' ' 5' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.611 ' H ' ' C ' ' A' ' 3' ' ' CGU . 83.4 t80 -60.49 -48.2 82.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 p -64.93 -35.0 79.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.541 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.13 -40.97 97.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.505 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.7 pt -85.27 -10.39 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.992 -1.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.92 88.59 0.57 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.889 0.376 . . . . 0.0 110.531 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -61.21 -45.99 92.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -60.82 -43.89 97.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.83 -36.77 84.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.521 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.0 pt -95.67 -26.07 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.575 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 120.035 -1.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' N ' ' A' ' 3' ' ' CGU . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 54.89 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 0.0 110.713 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.523 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 3' ' ' CGU . 61.6 t80 -88.58 -35.9 16.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.684 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -61.06 -35.45 76.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.556 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.78 -37.98 89.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.8 pt -83.4 -17.11 10.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.58 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.334 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.69 -38.33 86.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 0.0 110.612 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.555 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . 0.408 HE22 ' CD1' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -60.08 -43.74 95.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.8 p -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.554 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.408 ' CD1' HE22 ' A' ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.53 97.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.591 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.7 mm -83.68 -70.08 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 120.083 -1.636 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.345 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -66.04 -39.3 90.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.555 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -61.34 -47.09 87.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -61.65 -35.58 78.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.541 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.27 -38.06 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.463 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -89.46 -16.12 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.62 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.997 -1.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.71 -37.66 85.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.628 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.518 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -60.34 -47.46 85.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.52 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.3 t -62.06 -42.21 98.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.557 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.44 -39.9 94.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.498 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 pt -100.66 -13.48 8.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.469 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.973 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.385 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.695 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.7 pm0 -63.69 -23.48 67.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.366 . . . . 0.0 110.551 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.497 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.6 t80 -61.69 -46.09 91.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.536 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.8 p -62.38 -28.73 69.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.64 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.496 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.4 pt -79.51 -7.8 10.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 120.005 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.39 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.473 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.1 pm0 -151.79 13.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.542 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -60.59 -47.54 85.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.575 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -43.32 93.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.07 89.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.542 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mm -79.6 -75.53 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.553 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.054 -1.654 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.98 -39.37 93.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.742 0.306 . . . . 0.0 110.584 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.513 ' N ' OE22 ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.58 -47.58 85.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.555 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 t -60.07 -43.45 95.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.538 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -153.33 56.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.497 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.97 -76.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.546 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 120.078 -1.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.627 -1.389 . . . . 0.0 109.627 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 55.0 mp0 -86.05 76.95 9.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.75 0.31 . . . . 0.0 110.556 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -61.3 -45.66 93.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -62.56 -36.99 84.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.544 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.96 -42.41 99.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.8 pt -88.97 -8.74 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.393 0 O-C-N 120.121 -1.612 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -78.0 144.72 36.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.671 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -62.76 -25.71 68.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.468 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.9 p -60.12 -35.07 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.579 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.13 -38.02 89.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.474 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.4 mt -61.97 -64.12 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.492 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.366 0 O-C-N 119.995 -1.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -66.15 -36.67 83.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.707 0.289 . . . . 0.0 110.559 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . 0.543 ' N ' ' CD2' ' A' ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.66 -46.47 90.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.522 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.0 m -59.36 -42.43 91.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.504 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.95 98.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.511 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.1 pt -80.18 -7.55 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 120.067 -1.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 50.9 78.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 110.575 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -89.58 -30.35 18.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.0 p -62.94 -36.63 84.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.515 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CGU . . . . . 0.57 ' CD1' ' C ' ' A' ' 7' ' ' CGU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' N ' ' CD1' ' A' ' 7' ' ' CGU . . . -64.2 -39.33 93.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.511 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.6 pt -83.64 -21.23 8.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.671 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 120.092 -1.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_