data_6d2h_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6d2h _Structure_validation_residue.Date_analyzed 2019-04-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.474 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 2.6 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.462 ' O ' HG12 ' A' ' 6' ' ' ILE . 45.2 ttp85 -58.56 -46.56 86.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.547 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.416 ' CE1' ' NH1' ' A' ' 2' ' ' ARG . 7.4 m-85 -57.15 -46.6 82.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 1' ' ' SER . 1.8 mp0 -63.47 -39.48 94.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -30.54 65.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 2' ' ' ARG . 6.0 mm -85.69 -52.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.41 -22.92 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.498 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.459 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -49.59 -26.47 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -17.84 62.82 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.475 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 43.08 52.83 5.35 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.75 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.432 ' H1 ' ' CD ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.286 . . . . 0.0 111.276 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -69.94 -34.14 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.439 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 3.5 mp0 -58.56 -37.32 75.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.499 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -65.33 -29.67 70.44 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 6' ' ' ILE . 6.8 mm -72.37 -54.98 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.739 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.452 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 34.3 m -59.08 -25.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.645 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.47 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 23.7 t60 -55.54 -15.26 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.862 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -54.42 -42.81 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.002 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.9 OUTLIER 45.63 56.9 5.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.495 ' H2 ' ' CD ' ' A' ' 4' ' ' GLU . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HA ' HD13 ' A' ' 5' ' ' LEU . 46.2 ttp85 -57.68 -50.28 73.7 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -41.99 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.364 -177.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.495 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 9.8 mp0 -58.45 -32.03 68.34 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.474 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 2' ' ' ARG . 1.2 mt -58.53 -41.8 86.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.929 0.395 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.1 mm -54.8 -52.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.34 -38.99 27.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 31.1 t-80 -65.47 -39.24 91.73 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -30.39 30.52 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.278 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.84 3.72 4.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.515 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -58.07 -45.07 87.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.85 -40.33 79.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.872 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.4 mp0 -57.39 -39.79 76.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.398 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -33.18 70.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.428 HD11 HG23 ' A' ' 6' ' ' ILE . 6.6 mm -72.97 -52.48 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.326 179.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.9 t -60.45 -42.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.89 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.51 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 20.8 t-160 -54.17 -17.72 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.3 OUTLIER -62.16 -17.07 56.9 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.216 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 54.86 -84.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.647 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.6 ttp85 -58.38 -48.71 79.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.855 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -37.2 78.62 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.971 -178.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.6 mp0 -57.41 -39.63 76.58 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.748 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.3 -41.43 88.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 10' ' ' ARG . 6.0 mm -63.54 -49.7 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.498 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 19.0 t -58.62 -25.91 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.676 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.31 -56.13 4.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -79.92 -29.98 39.9 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.071 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 6' ' ' ILE . 0.8 OUTLIER 58.38 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.427 0.156 . . . . 0.0 110.733 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.513 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.0 ttp85 -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -32.74 69.67 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.917 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 25.8 mp0 -57.35 -39.13 75.3 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.197 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -59.89 -42.7 94.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 5.9 mm -63.1 -41.65 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.94 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.7 t -69.01 -45.53 80.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.718 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.597 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 12.2 t-80 -57.59 -52.98 63.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.442 HE21 ' C ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -71.99 -13.15 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.613 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 60.58 51.85 4.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.488 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -57.03 -48.02 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.747 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -36.49 72.65 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.733 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 1' ' ' SER . 2.9 mp0 -58.6 -39.8 81.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.286 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 mt -59.36 -39.53 83.56 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 109.806 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 5.9 mm -59.98 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.356 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 17.7 m -75.92 -37.51 34.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' ' 6' ' ' ILE . 3.3 pt20 -51.94 -31.05 27.2 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.926 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.41 -23.81 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.203 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -60.89 -46.95 88.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.56 -41.55 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.27 -178.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 1' ' ' SER . 3.5 mp0 -56.58 -38.62 72.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.28 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.97 -33.7 70.95 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 mm -79.43 -47.97 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 10' ' ' ARG . 18.1 t -57.85 -21.23 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.903 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -48.14 -27.6 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.584 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -69.43 -24.29 63.8 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.401 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 54.42 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 111.38 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.584 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.413 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 3' ' ' PHE . 45.2 ttp85 -58.43 -51.81 68.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.696 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.451 ' CD1' ' NH1' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -61.85 -35.94 79.76 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.101 -179.255 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 8' ' ' HIS . 30.9 mp0 -57.9 -40.78 81.14 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.305 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 1' ' ' SER . 1.1 mt -57.92 -41.45 82.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.2 mm -64.58 -40.96 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.816 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.475 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 3.2 t -75.22 -37.21 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.658 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 t60 -49.75 -27.35 4.79 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -38.15 62.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.147 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 44.97 -102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.051 0.22 . . . . 0.0 110.672 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -58.89 -39.61 81.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.35 -34.4 66.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.555 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 8' ' ' HIS . 57.9 mt-10 -59.07 -42.89 91.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.11 -37.93 75.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.71 -51.86 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.897 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.82 -34.83 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.403 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.492 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.3 t-80 -51.09 -23.07 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.502 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.61 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 44.91 -103.83 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.349 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 6' ' ' ILE . 45.2 ttp85 -58.56 -46.56 86.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.547 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 m-85 -57.15 -46.6 82.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 1' ' ' SER . 1.8 mp0 -63.47 -39.48 94.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 1' ' ' SER . 0.2 OUTLIER -57.43 -30.54 65.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.0 mm -85.69 -52.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 3' ' ' PHE . 21.3 t -57.41 -22.92 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.498 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.459 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -49.59 -26.47 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -70.71 -17.84 62.82 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.475 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 43.08 52.83 5.35 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.75 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.286 . . . . 0.0 111.276 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -69.94 -34.14 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' A' ' 7' ' ' VAL . 3.5 mp0 -58.56 -37.32 75.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.499 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 1' ' ' SER . 2.6 mt -65.33 -29.67 70.44 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.8 mm -72.37 -54.98 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.739 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' GLU . 34.3 m -59.08 -25.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.645 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.47 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 23.7 t60 -55.54 -15.26 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.862 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -54.42 -42.81 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.002 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 45.63 56.9 5.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 5' ' ' LEU . 46.2 ttp85 -57.68 -50.28 73.7 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -41.99 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.364 -177.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 9.8 mp0 -58.45 -32.03 68.34 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.474 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 1' ' ' SER . 1.2 mt -58.53 -41.8 86.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.929 0.395 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.1 mm -54.8 -52.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.34 -38.99 27.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 31.1 t-80 -65.47 -39.24 91.73 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -30.39 30.52 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.278 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 HH21 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -72.84 3.72 4.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.515 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -58.07 -45.07 87.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -57.85 -40.33 79.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.872 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.4 mp0 -57.39 -39.79 76.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.398 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -33.18 70.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mm -72.97 -52.48 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.326 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.9 t -60.45 -42.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.89 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.51 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 1.6 t60 -54.17 -17.72 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.3 OUTLIER -62.16 -17.07 56.9 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.216 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 54.86 -84.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.647 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 25.6 ttp85 -58.38 -48.71 79.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.855 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -59.86 -37.2 78.62 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.971 -178.542 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.6 mp0 -57.41 -39.63 76.58 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.748 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 2' ' ' ARG . 1.6 mt -59.3 -41.43 88.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.0 mm -63.54 -49.7 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.498 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' PHE . 19.0 t -58.62 -25.91 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.676 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.31 -56.13 4.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 1.2 pt20 -79.92 -29.98 39.9 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER 58.38 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.427 0.156 . . . . 0.0 110.733 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.519 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' HA ' HD12 ' A' ' 5' ' ' LEU . 28.0 ttp85 -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -58.83 -32.74 69.67 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.917 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 25.8 mp0 -57.35 -39.13 75.3 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.197 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 2' ' ' ARG . 1.1 mt -59.89 -42.7 94.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 5.9 mm -63.1 -41.65 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.94 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' PHE . 24.7 t -69.01 -45.53 80.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.718 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.597 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 12.2 t-80 -57.59 -52.98 63.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 6' ' ' ILE . 1.2 pp0? -71.99 -13.15 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 60.58 51.85 4.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.513 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -57.03 -48.02 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.747 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -36.49 72.65 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.733 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' OE2' ' N ' ' A' ' 1' ' ' SER . 2.9 mp0 -58.6 -39.8 81.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.286 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 1' ' ' SER . 2.6 mt -59.36 -39.53 83.56 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 109.806 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 5.9 mm -59.98 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.356 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 17.7 m -75.92 -37.51 34.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 6' ' ' ILE . 16.3 pt20 -51.94 -31.05 27.2 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.926 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.41 -23.81 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.203 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -60.89 -46.95 88.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.2 m-85 -58.56 -41.55 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.27 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 1' ' ' SER . 3.5 mp0 -56.58 -38.62 72.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.28 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.97 -33.7 70.95 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 mm -79.43 -47.97 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 3' ' ' PHE . 18.1 t -57.85 -21.23 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.903 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -48.14 -27.6 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -69.43 -24.29 63.8 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.401 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 54.42 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 111.38 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.596 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 3' ' ' PHE . 45.2 ttp85 -58.43 -51.81 68.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.696 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -61.85 -35.94 79.76 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.101 -179.255 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 8' ' ' HIS . 30.9 mp0 -57.9 -40.78 81.14 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.305 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.92 -41.45 82.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 6' ' ' ILE . 7.2 mm -64.58 -40.96 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.816 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.2 t -75.22 -37.21 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.658 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 t60 -49.75 -27.35 4.79 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -38.15 62.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.147 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 44.97 -102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.051 0.22 . . . . 0.0 110.672 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.775 ' HA ' HD12 ' A' ' 5' ' ' LEU . 28.3 ttp85 -58.89 -39.61 81.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.35 -34.4 66.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.555 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 8' ' ' HIS . 57.9 mt-10 -59.07 -42.89 91.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 2' ' ' ARG . 2.5 mt -58.11 -37.93 75.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.71 -51.86 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.897 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 3' ' ' PHE . 21.7 t -59.82 -34.83 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.403 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.593 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.3 t-80 -51.09 -23.07 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.502 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.61 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.593 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 44.91 -103.83 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.349 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HD12 ' A' ' 5' ' ' LEU . 2.6 p . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.474 ' O ' HG12 ' A' ' 6' ' ' ILE . 45.2 ttp85 -58.56 -46.56 86.65 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.547 -179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.819 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 m-85 -57.15 -46.6 82.59 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.474 ' OE2' ' N ' ' A' ' 1' ' ' SER . 1.8 mp0 -63.47 -39.48 94.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 1' ' ' SER . 0.2 OUTLIER -57.43 -30.54 65.08 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.488 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.0 mm -85.69 -52.11 12.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.139 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 3' ' ' PHE . 21.3 t -57.41 -22.92 18.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.498 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.459 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -49.59 -26.47 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.577 179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.71 -17.84 62.82 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.475 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 43.08 52.83 5.35 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.75 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.552 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.536 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.0 ttp85 -56.7 -52.08 66.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.702 0.286 . . . . 0.0 111.276 -179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -69.94 -34.14 73.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.08 0.467 . . . . 0.0 110.619 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.49 ' HA ' HG22 ' A' ' 7' ' ' VAL . 3.5 mp0 -58.56 -37.32 75.48 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.499 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 1' ' ' SER . 2.6 mt -65.33 -29.67 70.44 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.127 0.489 . . . . 0.0 110.231 179.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.405 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.8 mm -72.37 -54.98 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.739 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG22 ' HA ' ' A' ' 4' ' ' GLU . 34.3 m -59.08 -25.28 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.645 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.47 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 23.7 t60 -55.54 -15.26 2.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.862 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -54.42 -42.81 70.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.002 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 0.9 OUTLIER 45.63 56.9 5.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.367 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.39 0 O-C-N 119.892 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.655 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.411 ' HA ' HD12 ' A' ' 5' ' ' LEU . 46.2 ttp85 -57.68 -50.28 73.7 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.14 -41.99 80.79 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.43 -0.508 . . . . 0.0 112.364 -177.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.403 ' O ' ' CB ' ' A' ' 8' ' ' HIS . 9.8 mp0 -58.45 -32.03 68.34 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.474 -178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 1' ' ' SER . 1.2 mt -58.53 -41.8 86.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-O 120.929 0.395 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.1 mm -54.8 -52.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.508 -178.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.5 m -77.34 -38.99 27.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.451 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.403 ' CB ' ' O ' ' A' ' 4' ' ' GLU . 31.1 t-80 -65.47 -39.24 91.73 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -30.39 30.52 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 120.717 -0.393 . . . . 0.0 111.278 -178.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 HH21 ' HB3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -72.84 3.72 4.91 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.742 179.687 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.515 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.6 ttp85 -58.07 -45.07 87.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.341 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.655 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.8 OUTLIER -57.85 -40.33 79.87 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.872 -178.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.4 mp0 -57.39 -39.79 76.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.398 -179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.48 -33.18 70.99 Favored 'General case' 0 N--CA 1.446 -0.669 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.6 mm -72.97 -52.48 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.556 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.326 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 3' ' ' PHE . 2.9 t -60.45 -42.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.89 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.51 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 20.8 t-160 -54.17 -17.72 3.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.062 -179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.3 OUTLIER -62.16 -17.07 56.9 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.166 -0.614 . . . . 0.0 110.216 179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 54.86 -84.32 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.683 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.423 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.647 0 O-C-N 119.884 -1.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.469 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.457 ' HA ' HD12 ' A' ' 5' ' ' LEU . 25.6 ttp85 -58.38 -48.71 79.73 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.855 -179.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -59.86 -37.2 78.62 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.971 -178.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 1' ' ' SER . 2.6 mp0 -57.41 -39.63 76.58 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.748 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 2' ' ' ARG . 1.6 mt -59.3 -41.43 88.97 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 6' ' ' ILE . 6.0 mm -63.54 -49.7 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.498 178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' PHE . 19.0 t -58.62 -25.91 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.676 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -80.31 -56.13 4.42 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.089 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -79.92 -29.98 39.9 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -178.071 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 7' ' ' VAL . 0.8 OUTLIER 58.38 -71.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.427 0.156 . . . . 0.0 110.733 -179.014 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.519 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.298 -1.638 0 O-C-N 119.986 -1.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 121.442 0.639 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' HA ' HD12 ' A' ' 5' ' ' LEU . 28.0 ttp85 -71.08 -43.17 68.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.813 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.647 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -58.83 -32.74 69.67 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.917 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.422 ' OE2' ' N ' ' A' ' 4' ' ' GLU . 25.8 mp0 -57.35 -39.13 75.3 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.197 -179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 2' ' ' ARG . 1.1 mt -59.89 -42.7 94.38 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' HG3' ' A' ' 9' ' ' GLN . 5.9 mm -63.1 -41.65 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 114.975 -1.011 . . . . 0.0 108.94 178.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 3' ' ' PHE . 24.7 t -69.01 -45.53 80.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.718 179.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.597 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 12.2 t-80 -57.59 -52.98 63.21 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 HE21 ' C ' ' A' ' 9' ' ' GLN . 0.0 OUTLIER -71.99 -13.15 61.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.929 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.622 ' CZ ' ' HB2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 60.58 51.85 4.87 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.652 -179.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.668 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.513 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.7 ttp85 -57.03 -48.02 79.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.747 -179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.93 -36.49 72.65 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.14 -0.624 . . . . 0.0 111.733 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.513 ' OE2' ' N ' ' A' ' 1' ' ' SER . 2.9 mp0 -58.6 -39.8 81.44 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.286 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 1' ' ' SER . 2.6 mt -59.36 -39.53 83.56 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.341 0.591 . . . . 0.0 109.806 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.493 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 5.9 mm -59.98 -50.47 80.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.356 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.444 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 17.7 m -75.92 -37.51 34.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.563 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -73.45 -36.7 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 6' ' ' ILE . 3.3 pt20 -51.94 -31.05 27.2 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.551 -0.46 . . . . 0.0 111.926 -177.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' NE ' ' O ' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -56.41 -23.81 40.73 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.203 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.247 -1.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.468 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -60.89 -46.95 88.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.336 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.798 ' O ' HG23 ' A' ' 7' ' ' VAL . 2.2 m-85 -58.56 -41.55 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.27 -178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' OE2' ' N ' ' A' ' 1' ' ' SER . 3.5 mp0 -56.58 -38.62 72.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.28 -178.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.97 -33.7 70.95 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.1 mm -79.43 -47.97 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 3' ' ' PHE . 18.1 t -57.85 -21.23 16.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.903 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -48.14 -27.6 2.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.596 ' O ' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -69.43 -24.29 63.8 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.401 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 54.42 -62.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 123.796 0.685 . . . . 0.0 111.38 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.596 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . . . . . . 0 C--N 1.3 -1.577 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.451 ' NH1' ' CD1' ' A' ' 3' ' ' PHE . 45.2 ttp85 -58.43 -51.81 68.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.696 -179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -61.85 -35.94 79.76 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.181 -0.608 . . . . 0.0 111.101 -179.255 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 8' ' ' HIS . 30.9 mp0 -57.9 -40.78 81.14 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.305 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.92 -41.45 82.75 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' N ' HD13 ' A' ' 6' ' ' ILE . 7.2 mm -64.58 -40.96 90.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.816 179.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.756 HG23 ' O ' ' A' ' 3' ' ' PHE . 3.2 t -75.22 -37.21 39.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.658 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 4' ' ' GLU . 5.4 t60 -49.75 -27.35 4.79 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.16 -38.15 62.49 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.147 -179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 7' ' ' VAL . 0.3 OUTLIER 44.97 -102.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.051 0.22 . . . . 0.0 110.672 -179.776 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.345 0 O-C-N 119.718 -1.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.775 ' HA ' HD12 ' A' ' 5' ' ' LEU . 28.3 ttp85 -58.89 -39.61 81.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.621 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.723 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -56.35 -34.4 66.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.555 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 8' ' ' HIS . 57.9 mt-10 -59.07 -42.89 91.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.826 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 2' ' ' ARG . 2.5 mt -58.11 -37.93 75.52 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 mm -69.71 -51.86 37.11 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.897 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 3' ' ' PHE . 21.7 t -59.82 -34.83 57.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.403 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.593 ' O ' ' NE ' ' A' ' 10' ' ' ARG . 2.3 t-80 -51.09 -23.07 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.502 179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -67.28 -21.87 65.68 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.61 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.593 ' NE ' ' O ' ' A' ' 8' ' ' HIS . 0.0 OUTLIER 44.91 -103.83 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.349 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_