data_Remediated_restraints_file_for_PDB_entry_1aqa # This BMRB archive file contains, for PDB entry 1aqa: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1aqa _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1aqa' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1aqa' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1aqa 'Master copy' rr_1aqa stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1aqa _Assembly.ID 1 _Assembly.Name 1aqa _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 11403.306 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CYTOCHROME B5' 1 $CYTOCHROME_B5 A . no . . . . . . rr_1aqa 1 2 'PROTOPORPHYRIN IX CONTAINING FE' 2 $PROTOPORPHYRIN_IX_CONTAINING_FE B . no . . . . . . rr_1aqa 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CYTOCHROME_B5 _Entity.Sf_category entity _Entity.Sf_framecode CYTOCHROME_B5 _Entity.Entry_ID rr_1aqa _Entity.ID 1 _Entity.Name CYTOCHROME_B5 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; DKDVKYYTLEEIQKHKDSKS TWVILHHKVYDLTKFLEEHP GGEEVLREQAGGDATENFED VGHSTDARELSKTYIIGELH PDDRSKIAKPSETL ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 94 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 10786.8078 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ASP . rr_1aqa 1 2 . LYS . rr_1aqa 1 3 . ASP . rr_1aqa 1 4 . VAL . rr_1aqa 1 5 . LYS . rr_1aqa 1 6 . TYR . rr_1aqa 1 7 . TYR . rr_1aqa 1 8 . THR . rr_1aqa 1 9 . LEU . rr_1aqa 1 10 . GLU . rr_1aqa 1 11 . GLU . rr_1aqa 1 12 . ILE . rr_1aqa 1 13 . GLN . rr_1aqa 1 14 . LYS . rr_1aqa 1 15 . HIS . rr_1aqa 1 16 . LYS . rr_1aqa 1 17 . ASP . rr_1aqa 1 18 . SER . rr_1aqa 1 19 . LYS . rr_1aqa 1 20 . SER . rr_1aqa 1 21 . THR . rr_1aqa 1 22 . TRP . rr_1aqa 1 23 . VAL . rr_1aqa 1 24 . ILE . rr_1aqa 1 25 . LEU . rr_1aqa 1 26 . HIS . rr_1aqa 1 27 . HIS . rr_1aqa 1 28 . LYS . rr_1aqa 1 29 . VAL . rr_1aqa 1 30 . TYR . rr_1aqa 1 31 . ASP . rr_1aqa 1 32 . LEU . rr_1aqa 1 33 . THR . rr_1aqa 1 34 . LYS . rr_1aqa 1 35 . PHE . rr_1aqa 1 36 . LEU . rr_1aqa 1 37 . GLU . rr_1aqa 1 38 . GLU . rr_1aqa 1 39 . HIS . rr_1aqa 1 40 . PRO . rr_1aqa 1 41 . GLY . rr_1aqa 1 42 . GLY . rr_1aqa 1 43 . GLU . rr_1aqa 1 44 . GLU . rr_1aqa 1 45 . VAL . rr_1aqa 1 46 . LEU . rr_1aqa 1 47 . ARG . rr_1aqa 1 48 . GLU . rr_1aqa 1 49 . GLN . rr_1aqa 1 50 . ALA . rr_1aqa 1 51 . GLY . rr_1aqa 1 52 . GLY . rr_1aqa 1 53 . ASP . rr_1aqa 1 54 . ALA . rr_1aqa 1 55 . THR . rr_1aqa 1 56 . GLU . rr_1aqa 1 57 . ASN . rr_1aqa 1 58 . PHE . rr_1aqa 1 59 . GLU . rr_1aqa 1 60 . ASP . rr_1aqa 1 61 . VAL . rr_1aqa 1 62 . GLY . rr_1aqa 1 63 . HIS . rr_1aqa 1 64 . SER . rr_1aqa 1 65 . THR . rr_1aqa 1 66 . ASP . rr_1aqa 1 67 . ALA . rr_1aqa 1 68 . ARG . rr_1aqa 1 69 . GLU . rr_1aqa 1 70 . LEU . rr_1aqa 1 71 . SER . rr_1aqa 1 72 . LYS . rr_1aqa 1 73 . THR . rr_1aqa 1 74 . TYR . rr_1aqa 1 75 . ILE . rr_1aqa 1 76 . ILE . rr_1aqa 1 77 . GLY . rr_1aqa 1 78 . GLU . rr_1aqa 1 79 . LEU . rr_1aqa 1 80 . HIS . rr_1aqa 1 81 . PRO . rr_1aqa 1 82 . ASP . rr_1aqa 1 83 . ASP . rr_1aqa 1 84 . ARG . rr_1aqa 1 85 . SER . rr_1aqa 1 86 . LYS . rr_1aqa 1 87 . ILE . rr_1aqa 1 88 . ALA . rr_1aqa 1 89 . LYS . rr_1aqa 1 90 . PRO . rr_1aqa 1 91 . SER . rr_1aqa 1 92 . GLU . rr_1aqa 1 93 . THR . rr_1aqa 1 94 . LEU . rr_1aqa 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 rr_1aqa 1 . LYS 2 2 rr_1aqa 1 . ASP 3 3 rr_1aqa 1 . VAL 4 4 rr_1aqa 1 . LYS 5 5 rr_1aqa 1 . TYR 6 6 rr_1aqa 1 . TYR 7 7 rr_1aqa 1 . THR 8 8 rr_1aqa 1 . LEU 9 9 rr_1aqa 1 . GLU 10 10 rr_1aqa 1 . GLU 11 11 rr_1aqa 1 . ILE 12 12 rr_1aqa 1 . GLN 13 13 rr_1aqa 1 . LYS 14 14 rr_1aqa 1 . HIS 15 15 rr_1aqa 1 . LYS 16 16 rr_1aqa 1 . ASP 17 17 rr_1aqa 1 . SER 18 18 rr_1aqa 1 . LYS 19 19 rr_1aqa 1 . SER 20 20 rr_1aqa 1 . THR 21 21 rr_1aqa 1 . TRP 22 22 rr_1aqa 1 . VAL 23 23 rr_1aqa 1 . ILE 24 24 rr_1aqa 1 . LEU 25 25 rr_1aqa 1 . HIS 26 26 rr_1aqa 1 . HIS 27 27 rr_1aqa 1 . LYS 28 28 rr_1aqa 1 . VAL 29 29 rr_1aqa 1 . TYR 30 30 rr_1aqa 1 . ASP 31 31 rr_1aqa 1 . LEU 32 32 rr_1aqa 1 . THR 33 33 rr_1aqa 1 . LYS 34 34 rr_1aqa 1 . PHE 35 35 rr_1aqa 1 . LEU 36 36 rr_1aqa 1 . GLU 37 37 rr_1aqa 1 . GLU 38 38 rr_1aqa 1 . HIS 39 39 rr_1aqa 1 . PRO 40 40 rr_1aqa 1 . GLY 41 41 rr_1aqa 1 . GLY 42 42 rr_1aqa 1 . GLU 43 43 rr_1aqa 1 . GLU 44 44 rr_1aqa 1 . VAL 45 45 rr_1aqa 1 . LEU 46 46 rr_1aqa 1 . ARG 47 47 rr_1aqa 1 . GLU 48 48 rr_1aqa 1 . GLN 49 49 rr_1aqa 1 . ALA 50 50 rr_1aqa 1 . GLY 51 51 rr_1aqa 1 . GLY 52 52 rr_1aqa 1 . ASP 53 53 rr_1aqa 1 . ALA 54 54 rr_1aqa 1 . THR 55 55 rr_1aqa 1 . GLU 56 56 rr_1aqa 1 . ASN 57 57 rr_1aqa 1 . PHE 58 58 rr_1aqa 1 . GLU 59 59 rr_1aqa 1 . ASP 60 60 rr_1aqa 1 . VAL 61 61 rr_1aqa 1 . GLY 62 62 rr_1aqa 1 . HIS 63 63 rr_1aqa 1 . SER 64 64 rr_1aqa 1 . THR 65 65 rr_1aqa 1 . ASP 66 66 rr_1aqa 1 . ALA 67 67 rr_1aqa 1 . ARG 68 68 rr_1aqa 1 . GLU 69 69 rr_1aqa 1 . LEU 70 70 rr_1aqa 1 . SER 71 71 rr_1aqa 1 . LYS 72 72 rr_1aqa 1 . THR 73 73 rr_1aqa 1 . TYR 74 74 rr_1aqa 1 . ILE 75 75 rr_1aqa 1 . ILE 76 76 rr_1aqa 1 . GLY 77 77 rr_1aqa 1 . GLU 78 78 rr_1aqa 1 . LEU 79 79 rr_1aqa 1 . HIS 80 80 rr_1aqa 1 . PRO 81 81 rr_1aqa 1 . ASP 82 82 rr_1aqa 1 . ASP 83 83 rr_1aqa 1 . ARG 84 84 rr_1aqa 1 . SER 85 85 rr_1aqa 1 . LYS 86 86 rr_1aqa 1 . ILE 87 87 rr_1aqa 1 . ALA 88 88 rr_1aqa 1 . LYS 89 89 rr_1aqa 1 . PRO 90 90 rr_1aqa 1 . SER 91 91 rr_1aqa 1 . GLU 92 92 rr_1aqa 1 . THR 93 93 rr_1aqa 1 . LEU 94 94 rr_1aqa 1 stop_ save_ save_PROTOPORPHYRIN_IX_CONTAINING_FE _Entity.Sf_category entity _Entity.Sf_framecode PROTOPORPHYRIN_IX_CONTAINING_FE _Entity.Entry_ID rr_1aqa _Entity.ID 2 _Entity.Name PROTOPORPHYRIN_IX_CONTAINING_FE _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEM _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HEM . rr_1aqa 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID rr_1aqa _Chem_comp.ID HEM _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type non-polymer _Chem_comp.PDB_code HEM _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.4982 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1aqa _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1aqa _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1aqa 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1aqa 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 5 LYS C C -5.165 -12.009 4.202 . . . 1.0 . . . . . . . . . . . . A . 5 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 2 . 1 1 5 LYS CA C -6.445 -12.172 4.998 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 3 . 1 1 5 LYS CB C -7.690 -11.875 4.141 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 4 . 1 1 5 LYS CD C -9.862 -12.809 3.274 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 5 . 1 1 5 LYS CE C -10.732 -14.072 3.196 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 6 . 1 1 5 LYS CG C -8.580 -13.118 4.055 . . . 1.0 . . . . . . . . . . . . A . 5 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 7 . 1 1 5 LYS H H -5.555 -10.640 6.070 . . . 1.0 . . . . . . . . . . . . A . 5 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 8 . 1 1 5 LYS HA H -6.459 -13.183 5.398 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 9 . 1 1 5 LYS HB2 H -8.264 -11.054 4.576 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 10 . 1 1 5 LYS HB3 H -7.391 -11.575 3.134 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 11 . 1 1 5 LYS HD2 H -10.396 -12.008 3.791 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 12 . 1 1 5 LYS HD3 H -9.589 -12.467 2.273 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 13 . 1 1 5 LYS HE2 H -10.177 -14.857 2.677 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 14 . 1 1 5 LYS HE3 H -10.957 -14.419 4.208 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 15 . 1 1 5 LYS HG2 H -8.026 -13.917 3.559 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 16 . 1 1 5 LYS HG3 H -8.836 -13.434 5.068 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 17 . 1 1 5 LYS HZ1 H -11.820 -13.518 1.539 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 18 . 1 1 5 LYS HZ2 H -12.536 -14.690 2.443 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 19 . 1 1 5 LYS HZ3 H -12.547 -13.134 2.969 . . . 1.0 . . . . . . . . . . . . A . 5 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 20 . 1 1 5 LYS N N -6.353 -11.259 6.115 . . . 1.0 . . . . . . . . . . . . A . 5 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 21 . 1 1 5 LYS NZ N -12.003 -13.832 2.482 . . . 1.0 . . . . . . . . . . . . A . 5 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 22 . 1 1 5 LYS O O -4.581 -10.932 4.195 . . . 1.0 . . . . . . . . . . . . A . 5 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 23 . 1 1 6 TYR C C -3.806 -12.715 1.352 . . . 1.0 . . . . . . . . . . . . A . 6 TYR C . . . . . . . . . rr_1aqa 1 . 1 . 24 . 1 1 6 TYR CA C -3.471 -13.046 2.807 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CA . . . . . . . . . rr_1aqa 1 . 1 . 25 . 1 1 6 TYR CB C -2.797 -14.409 2.951 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CB . . . . . . . . . rr_1aqa 1 . 1 . 26 . 1 1 6 TYR CD1 C -2.238 -14.025 5.407 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD1 . . . . . . . . . rr_1aqa 1 . 1 . 27 . 1 1 6 TYR CD2 C -2.975 -16.233 4.701 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CD2 . . . . . . . . . rr_1aqa 1 . 1 . 28 . 1 1 6 TYR CE1 C -2.221 -14.456 6.744 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE1 . . . . . . . . . rr_1aqa 1 . 1 . 29 . 1 1 6 TYR CE2 C -2.952 -16.665 6.038 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CE2 . . . . . . . . . rr_1aqa 1 . 1 . 30 . 1 1 6 TYR CG C -2.634 -14.905 4.380 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CG . . . . . . . . . rr_1aqa 1 . 1 . 31 . 1 1 6 TYR CZ C -2.584 -15.775 7.060 . . . 1.0 . . . . . . . . . . . . A . 6 TYR CZ . . . . . . . . . rr_1aqa 1 . 1 . 32 . 1 1 6 TYR H H -5.196 -13.946 3.621 . . . 1.0 . . . . . . . . . . . . A . 6 TYR H . . . . . . . . . rr_1aqa 1 . 1 . 33 . 1 1 6 TYR HA H -2.790 -12.277 3.184 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HA . . . . . . . . . rr_1aqa 1 . 1 . 34 . 1 1 6 TYR HB2 H -3.413 -15.122 2.406 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB2 . . . . . . . . . rr_1aqa 1 . 1 . 35 . 1 1 6 TYR HB3 H -1.822 -14.356 2.479 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HB3 . . . . . . . . . rr_1aqa 1 . 1 . 36 . 1 1 6 TYR HD1 H -1.975 -13.003 5.188 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD1 . . . . . . . . . rr_1aqa 1 . 1 . 37 . 1 1 6 TYR HD2 H -3.283 -16.921 3.926 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HD2 . . . . . . . . . rr_1aqa 1 . 1 . 38 . 1 1 6 TYR HE1 H -1.932 -13.762 7.521 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE1 . . . . . . . . . rr_1aqa 1 . 1 . 39 . 1 1 6 TYR HE2 H -3.235 -17.679 6.284 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HE2 . . . . . . . . . rr_1aqa 1 . 1 . 40 . 1 1 6 TYR HH H -2.355 -15.497 8.972 . . . 1.0 . . . . . . . . . . . . A . 6 TYR HH . . . . . . . . . rr_1aqa 1 . 1 . 41 . 1 1 6 TYR N N -4.693 -13.077 3.579 . . . 1.0 . . . . . . . . . . . . A . 6 TYR N . . . . . . . . . rr_1aqa 1 . 1 . 42 . 1 1 6 TYR O O -4.921 -12.959 0.893 . . . 1.0 . . . . . . . . . . . . A . 6 TYR O . . . . . . . . . rr_1aqa 1 . 1 . 43 . 1 1 6 TYR OH O -2.597 -16.192 8.357 . . . 1.0 . . . . . . . . . . . . A . 6 TYR OH . . . . . . . . . rr_1aqa 1 . 1 . 44 . 1 1 7 TYR C C -1.439 -12.138 -1.278 . . . 1.0 . . . . . . . . . . . . A . 7 TYR C . . . . . . . . . rr_1aqa 1 . 1 . 45 . 1 1 7 TYR CA C -2.852 -11.866 -0.778 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CA . . . . . . . . . rr_1aqa 1 . 1 . 46 . 1 1 7 TYR CB C -3.263 -10.408 -1.013 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CB . . . . . . . . . rr_1aqa 1 . 1 . 47 . 1 1 7 TYR CD1 C -5.696 -10.695 -1.635 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD1 . . . . . . . . . rr_1aqa 1 . 1 . 48 . 1 1 7 TYR CD2 C -5.152 -9.346 0.316 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD2 . . . . . . . . . rr_1aqa 1 . 1 . 49 . 1 1 7 TYR CE1 C -7.062 -10.434 -1.437 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE1 . . . . . . . . . rr_1aqa 1 . 1 . 50 . 1 1 7 TYR CE2 C -6.518 -9.078 0.508 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE2 . . . . . . . . . rr_1aqa 1 . 1 . 51 . 1 1 7 TYR CG C -4.736 -10.139 -0.769 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CG . . . . . . . . . rr_1aqa 1 . 1 . 52 . 1 1 7 TYR CZ C -7.472 -9.618 -0.368 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CZ . . . . . . . . . rr_1aqa 1 . 1 . 53 . 1 1 7 TYR H H -1.915 -12.061 1.063 . . . 1.0 . . . . . . . . . . . . A . 7 TYR H . . . . . . . . . rr_1aqa 1 . 1 . 54 . 1 1 7 TYR HA H -3.542 -12.524 -1.302 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HA . . . . . . . . . rr_1aqa 1 . 1 . 55 . 1 1 7 TYR HB2 H -2.657 -9.761 -0.380 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB2 . . . . . . . . . rr_1aqa 1 . 1 . 56 . 1 1 7 TYR HB3 H -3.047 -10.149 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB3 . . . . . . . . . rr_1aqa 1 . 1 . 57 . 1 1 7 TYR HD1 H -5.386 -11.308 -2.469 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD1 . . . . . . . . . rr_1aqa 1 . 1 . 58 . 1 1 7 TYR HD2 H -4.429 -8.940 1.007 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD2 . . . . . . . . . rr_1aqa 1 . 1 . 59 . 1 1 7 TYR HE1 H -7.787 -10.861 -2.113 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE1 . . . . . . . . . rr_1aqa 1 . 1 . 60 . 1 1 7 TYR HE2 H -6.837 -8.456 1.329 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE2 . . . . . . . . . rr_1aqa 1 . 1 . 61 . 1 1 7 TYR HH H -9.344 -9.684 -0.895 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HH . . . . . . . . . rr_1aqa 1 . 1 . 62 . 1 1 7 TYR N N -2.826 -12.162 0.642 . . . 1.0 . . . . . . . . . . . . A . 7 TYR N . . . . . . . . . rr_1aqa 1 . 1 . 63 . 1 1 7 TYR O O -0.498 -12.060 -0.488 . . . 1.0 . . . . . . . . . . . . A . 7 TYR O . . . . . . . . . rr_1aqa 1 . 1 . 64 . 1 1 7 TYR OH O -8.795 -9.346 -0.185 . . . 1.0 . . . . . . . . . . . . A . 7 TYR OH . . . . . . . . . rr_1aqa 1 . 1 . 65 . 1 1 8 THR C C 0.422 -11.556 -3.981 . . . 1.0 . . . . . . . . . . . . A . 8 THR C . . . . . . . . . rr_1aqa 1 . 1 . 66 . 1 1 8 THR CA C -0.020 -12.780 -3.178 . . . 1.0 . . . . . . . . . . . . A . 8 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 67 . 1 1 8 THR CB C -0.218 -13.983 -4.108 . . . 1.0 . . . . . . . . . . . . A . 8 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 68 . 1 1 8 THR CG2 C -0.344 -15.277 -3.297 . . . 1.0 . . . . . . . . . . . . A . 8 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 69 . 1 1 8 THR H H -2.092 -12.576 -3.169 . . . 1.0 . . . . . . . . . . . . A . 8 THR H . . . . . . . . . rr_1aqa 1 . 1 . 70 . 1 1 8 THR HA H 0.742 -13.022 -2.433 . . . 1.0 . . . . . . . . . . . . A . 8 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 71 . 1 1 8 THR HB H 0.634 -14.067 -4.787 . . . 1.0 . . . . . . . . . . . . A . 8 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 72 . 1 1 8 THR HG1 H -1.534 -14.526 -5.455 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 73 . 1 1 8 THR HG21 H -1.193 -15.220 -2.616 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 74 . 1 1 8 THR HG22 H -0.486 -16.123 -3.970 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 75 . 1 1 8 THR HG23 H 0.568 -15.438 -2.720 . . . 1.0 . . . . . . . . . . . . A . 8 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 76 . 1 1 8 THR N N -1.296 -12.497 -2.551 . . . 1.0 . . . . . . . . . . . . A . 8 THR N . . . . . . . . . rr_1aqa 1 . 1 . 77 . 1 1 8 THR O O -0.413 -10.784 -4.466 . . . 1.0 . . . . . . . . . . . . A . 8 THR O . . . . . . . . . rr_1aqa 1 . 1 . 78 . 1 1 8 THR OG1 O -1.411 -13.790 -4.848 . . . 1.0 . . . . . . . . . . . . A . 8 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 79 . 1 1 9 LEU C C 1.636 -10.240 -6.348 . . . 1.0 . . . . . . . . . . . . A . 9 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 80 . 1 1 9 LEU CA C 2.321 -10.366 -4.986 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 81 . 1 1 9 LEU CB C 3.825 -10.617 -5.161 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 82 . 1 1 9 LEU CD1 C 4.856 -8.847 -3.672 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 83 . 1 1 9 LEU CD2 C 5.893 -9.379 -5.893 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 84 . 1 1 9 LEU CG C 4.577 -9.286 -5.116 . . . 1.0 . . . . . . . . . . . . A . 9 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 85 . 1 1 9 LEU H H 2.391 -11.943 -3.597 . . . 1.0 . . . . . . . . . . . . A . 9 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 86 . 1 1 9 LEU HA H 2.166 -9.444 -4.432 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 87 . 1 1 9 LEU HB2 H 4.213 -11.254 -4.376 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 88 . 1 1 9 LEU HB3 H 3.997 -11.121 -6.112 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 89 . 1 1 9 LEU HD11 H 3.931 -8.802 -3.099 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 90 . 1 1 9 LEU HD12 H 5.534 -9.553 -3.191 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 91 . 1 1 9 LEU HD13 H 5.317 -7.858 -3.672 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 92 . 1 1 9 LEU HD21 H 5.692 -9.646 -6.931 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 93 . 1 1 9 LEU HD22 H 6.403 -8.416 -5.870 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 94 . 1 1 9 LEU HD23 H 6.535 -10.138 -5.444 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 95 . 1 1 9 LEU HG H 3.931 -8.551 -5.586 . . . 1.0 . . . . . . . . . . . . A . 9 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 96 . 1 1 9 LEU N N 1.736 -11.405 -4.168 . . . 1.0 . . . . . . . . . . . . A . 9 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 97 . 1 1 9 LEU O O 1.511 -9.134 -6.860 . . . 1.0 . . . . . . . . . . . . A . 9 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 98 . 1 1 10 GLU C C -0.727 -10.408 -8.150 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 99 . 1 1 10 GLU CA C 0.486 -11.354 -8.205 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 100 . 1 1 10 GLU CB C 0.074 -12.788 -8.580 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 101 . 1 1 10 GLU CD C -1.231 -14.067 -10.345 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 102 . 1 1 10 GLU CG C -0.350 -12.859 -10.052 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 103 . 1 1 10 GLU H H 1.339 -12.237 -6.462 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 104 . 1 1 10 GLU HA H 1.182 -10.990 -8.962 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 105 . 1 1 10 GLU HB2 H 0.909 -13.477 -8.441 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 106 . 1 1 10 GLU HB3 H -0.751 -13.124 -7.950 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 107 . 1 1 10 GLU HG2 H -0.901 -11.963 -10.309 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 108 . 1 1 10 GLU HG3 H 0.536 -12.902 -10.683 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 109 . 1 1 10 GLU N N 1.194 -11.358 -6.934 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 110 . 1 1 10 GLU O O -0.801 -9.431 -8.899 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 111 . 1 1 10 GLU OE1 O -0.809 -15.180 -9.972 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 112 . 1 1 10 GLU OE2 O -2.319 -13.846 -10.925 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 113 . 1 1 11 GLU C C -2.599 -8.486 -6.828 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 114 . 1 1 11 GLU CA C -2.925 -9.939 -7.169 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 115 . 1 1 11 GLU CB C -3.874 -10.554 -6.123 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 116 . 1 1 11 GLU CD C -5.324 -11.869 -7.732 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 117 . 1 1 11 GLU CG C -5.288 -10.773 -6.678 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 118 . 1 1 11 GLU H H -1.515 -11.449 -6.601 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 119 . 1 1 11 GLU HA H -3.399 -9.959 -8.148 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 120 . 1 1 11 GLU HB2 H -3.496 -11.514 -5.765 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 121 . 1 1 11 GLU HB3 H -3.959 -9.870 -5.279 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 122 . 1 1 11 GLU HG2 H -5.948 -11.071 -5.864 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 123 . 1 1 11 GLU HG3 H -5.664 -9.843 -7.106 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 124 . 1 1 11 GLU N N -1.683 -10.701 -7.260 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 125 . 1 1 11 GLU O O -3.136 -7.552 -7.422 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 126 . 1 1 11 GLU OE1 O -5.106 -13.038 -7.358 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 127 . 1 1 11 GLU OE2 O -5.534 -11.523 -8.916 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 128 . 1 1 12 ILE C C -0.751 -6.224 -6.716 . . . 1.0 . . . . . . . . . . . . A . 12 ILE C . . . . . . . . . rr_1aqa 1 . 1 . 129 . 1 1 12 ILE CA C -1.192 -7.009 -5.469 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CA . . . . . . . . . rr_1aqa 1 . 1 . 130 . 1 1 12 ILE CB C -0.079 -7.212 -4.423 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CB . . . . . . . . . rr_1aqa 1 . 1 . 131 . 1 1 12 ILE CD1 C -1.314 -6.849 -2.201 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 132 . 1 1 12 ILE CG1 C -0.607 -7.845 -3.121 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG1 . . . . . . . . . rr_1aqa 1 . 1 . 133 . 1 1 12 ILE CG2 C 0.689 -5.929 -4.115 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG2 . . . . . . . . . rr_1aqa 1 . 1 . 134 . 1 1 12 ILE H H -1.278 -9.141 -5.445 . . . 1.0 . . . . . . . . . . . . A . 12 ILE H . . . . . . . . . rr_1aqa 1 . 1 . 135 . 1 1 12 ILE HA H -2.015 -6.458 -5.013 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HA . . . . . . . . . rr_1aqa 1 . 1 . 136 . 1 1 12 ILE HB H 0.638 -7.909 -4.845 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HB . . . . . . . . . rr_1aqa 1 . 1 . 137 . 1 1 12 ILE HD11 H -1.983 -6.211 -2.773 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD11 . . . . . . . . . rr_1aqa 1 . 1 . 138 . 1 1 12 ILE HD12 H -1.886 -7.411 -1.462 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD12 . . . . . . . . . rr_1aqa 1 . 1 . 139 . 1 1 12 ILE HD13 H -0.584 -6.219 -1.694 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD13 . . . . . . . . . rr_1aqa 1 . 1 . 140 . 1 1 12 ILE HG12 H -1.307 -8.648 -3.348 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG12 . . . . . . . . . rr_1aqa 1 . 1 . 141 . 1 1 12 ILE HG13 H 0.231 -8.278 -2.573 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG13 . . . . . . . . . rr_1aqa 1 . 1 . 142 . 1 1 12 ILE HG21 H 0.007 -5.135 -3.815 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG21 . . . . . . . . . rr_1aqa 1 . 1 . 143 . 1 1 12 ILE HG22 H 1.392 -6.114 -3.310 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG22 . . . . . . . . . rr_1aqa 1 . 1 . 144 . 1 1 12 ILE HG23 H 1.260 -5.636 -4.992 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG23 . . . . . . . . . rr_1aqa 1 . 1 . 145 . 1 1 12 ILE N N -1.688 -8.313 -5.869 . . . 1.0 . . . . . . . . . . . . A . 12 ILE N . . . . . . . . . rr_1aqa 1 . 1 . 146 . 1 1 12 ILE O O -1.333 -5.189 -7.023 . . . 1.0 . . . . . . . . . . . . A . 12 ILE O . . . . . . . . . rr_1aqa 1 . 1 . 147 . 1 1 13 GLN C C -0.269 -5.758 -9.682 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . rr_1aqa 1 . 1 . 148 . 1 1 13 GLN CA C 0.805 -6.129 -8.656 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . rr_1aqa 1 . 1 . 149 . 1 1 13 GLN CB C 1.864 -7.053 -9.279 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . rr_1aqa 1 . 1 . 150 . 1 1 13 GLN CD C 3.550 -7.191 -11.184 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . rr_1aqa 1 . 1 . 151 . 1 1 13 GLN CG C 2.764 -6.273 -10.251 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . rr_1aqa 1 . 1 . 152 . 1 1 13 GLN H H 0.684 -7.571 -7.120 . . . 1.0 . . . . . . . . . . . . A . 13 GLN H . . . . . . . . . rr_1aqa 1 . 1 . 153 . 1 1 13 GLN HA H 1.315 -5.217 -8.355 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HA . . . . . . . . . rr_1aqa 1 . 1 . 154 . 1 1 13 GLN HB2 H 2.506 -7.468 -8.501 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB2 . . . . . . . . . rr_1aqa 1 . 1 . 155 . 1 1 13 GLN HB3 H 1.363 -7.874 -9.795 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HB3 . . . . . . . . . rr_1aqa 1 . 1 . 156 . 1 1 13 GLN HE21 H 5.358 -6.478 -10.545 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE21 . . . . . . . . . rr_1aqa 1 . 1 . 157 . 1 1 13 GLN HE22 H 5.405 -7.686 -11.809 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HE22 . . . . . . . . . rr_1aqa 1 . 1 . 158 . 1 1 13 GLN HG2 H 2.159 -5.630 -10.886 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG2 . . . . . . . . . rr_1aqa 1 . 1 . 159 . 1 1 13 GLN HG3 H 3.440 -5.644 -9.670 . . . 1.0 . . . . . . . . . . . . A . 13 GLN HG3 . . . . . . . . . rr_1aqa 1 . 1 . 160 . 1 1 13 GLN N N 0.246 -6.727 -7.450 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . rr_1aqa 1 . 1 . 161 . 1 1 13 GLN NE2 N 4.877 -7.099 -11.178 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . rr_1aqa 1 . 1 . 162 . 1 1 13 GLN O O -0.169 -4.697 -10.297 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . rr_1aqa 1 . 1 . 163 . 1 1 13 GLN OE1 O 2.962 -7.954 -11.942 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . rr_1aqa 1 . 1 . 164 . 1 1 14 LYS C C -3.037 -4.950 -10.296 . . . 1.0 . . . . . . . . . . . . A . 14 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 165 . 1 1 14 LYS CA C -2.390 -6.252 -10.779 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 166 . 1 1 14 LYS CB C -3.465 -7.348 -10.819 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 167 . 1 1 14 LYS CD C -4.102 -9.719 -11.287 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 168 . 1 1 14 LYS CE C -3.586 -11.098 -11.723 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 169 . 1 1 14 LYS CG C -2.999 -8.661 -11.452 . . . 1.0 . . . . . . . . . . . . A . 14 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 170 . 1 1 14 LYS H H -1.294 -7.498 -9.396 . . . 1.0 . . . . . . . . . . . . A . 14 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 171 . 1 1 14 LYS HA H -2.010 -6.097 -11.790 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 172 . 1 1 14 LYS HB2 H -3.809 -7.544 -9.805 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 173 . 1 1 14 LYS HB3 H -4.314 -6.978 -11.397 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 174 . 1 1 14 LYS HD2 H -4.380 -9.752 -10.232 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 175 . 1 1 14 LYS HD3 H -4.988 -9.439 -11.860 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 176 . 1 1 14 LYS HE2 H -3.579 -11.185 -12.811 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 177 . 1 1 14 LYS HE3 H -2.565 -11.206 -11.373 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 178 . 1 1 14 LYS HG2 H -2.774 -8.507 -12.508 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 179 . 1 1 14 LYS HG3 H -2.095 -8.994 -10.945 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 180 . 1 1 14 LYS HZ1 H -4.579 -12.012 -10.152 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 181 . 1 1 14 LYS HZ2 H -5.201 -12.408 -11.605 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 182 . 1 1 14 LYS HZ3 H -3.741 -13.042 -11.109 . . . 1.0 . . . . . . . . . . . . A . 14 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 183 . 1 1 14 LYS N N -1.277 -6.615 -9.900 . . . 1.0 . . . . . . . . . . . . A . 14 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 184 . 1 1 14 LYS NZ N -4.341 -12.215 -11.121 . . . 1.0 . . . . . . . . . . . . A . 14 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 185 . 1 1 14 LYS O O -3.324 -4.049 -11.085 . . . 1.0 . . . . . . . . . . . . A . 14 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 186 . 1 1 15 HIS C C -3.216 -2.572 -8.178 . . . 1.0 . . . . . . . . . . . . A . 15 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 187 . 1 1 15 HIS CA C -4.091 -3.812 -8.390 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 188 . 1 1 15 HIS CB C -4.717 -4.349 -7.093 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 189 . 1 1 15 HIS CD2 C -6.025 -6.127 -8.459 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 190 . 1 1 15 HIS CE1 C -7.011 -7.201 -6.828 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 191 . 1 1 15 HIS CG C -5.638 -5.540 -7.280 . . . 1.0 . . . . . . . . . . . . A . 15 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 192 . 1 1 15 HIS H H -2.963 -5.610 -8.378 . . . 1.0 . . . . . . . . . . . . A . 15 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 193 . 1 1 15 HIS HA H -4.902 -3.529 -9.063 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 194 . 1 1 15 HIS HB2 H -3.919 -4.642 -6.410 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 195 . 1 1 15 HIS HB3 H -5.283 -3.546 -6.619 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 196 . 1 1 15 HIS HD1 H -6.158 -6.078 -5.285 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 197 . 1 1 15 HIS HD2 H -5.712 -5.854 -9.451 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 198 . 1 1 15 HIS HE1 H -7.619 -7.902 -6.276 . . . 1.0 . . . . . . . . . . . . A . 15 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 199 . 1 1 15 HIS N N -3.306 -4.875 -8.993 . . . 1.0 . . . . . . . . . . . . A . 15 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 200 . 1 1 15 HIS ND1 N -6.259 -6.238 -6.272 . . . 1.0 . . . . . . . . . . . . A . 15 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 201 . 1 1 15 HIS NE2 N -6.904 -7.171 -8.164 . . . 1.0 . . . . . . . . . . . . A . 15 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 202 . 1 1 15 HIS O O -2.989 -2.145 -7.044 . . . 1.0 . . . . . . . . . . . . A . 15 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 203 . 1 1 16 LYS C C -2.895 0.394 -9.210 . . . 1.0 . . . . . . . . . . . . A . 16 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 204 . 1 1 16 LYS CA C -1.949 -0.780 -9.289 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 205 . 1 1 16 LYS CB C -1.114 -0.698 -10.574 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 206 . 1 1 16 LYS CD C 0.993 -1.526 -11.666 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 207 . 1 1 16 LYS CE C 2.422 -2.000 -11.375 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 208 . 1 1 16 LYS CG C 0.255 -1.334 -10.341 . . . 1.0 . . . . . . . . . . . . A . 16 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 209 . 1 1 16 LYS H H -3.078 -2.277 -10.193 . . . 1.0 . . . . . . . . . . . . A . 16 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 210 . 1 1 16 LYS HA H -1.290 -0.755 -8.420 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 211 . 1 1 16 LYS HB2 H -1.637 -1.188 -11.397 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 212 . 1 1 16 LYS HB3 H -0.953 0.348 -10.844 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 213 . 1 1 16 LYS HD2 H 0.447 -2.268 -12.256 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 214 . 1 1 16 LYS HD3 H 1.004 -0.575 -12.204 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 215 . 1 1 16 LYS HE2 H 2.939 -1.237 -10.789 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 216 . 1 1 16 LYS HE3 H 2.379 -2.917 -10.782 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 217 . 1 1 16 LYS HG2 H 0.828 -0.667 -9.696 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 218 . 1 1 16 LYS HG3 H 0.130 -2.292 -9.836 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 219 . 1 1 16 LYS HZ1 H 3.231 -1.415 -13.171 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 220 . 1 1 16 LYS HZ2 H 4.121 -2.550 -12.381 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 221 . 1 1 16 LYS HZ3 H 2.733 -2.987 -13.150 . . . 1.0 . . . . . . . . . . . . A . 16 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 222 . 1 1 16 LYS N N -2.744 -1.982 -9.284 . . . 1.0 . . . . . . . . . . . . A . 16 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 223 . 1 1 16 LYS NZ N 3.182 -2.257 -12.614 . . . 1.0 . . . . . . . . . . . . A . 16 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 224 . 1 1 16 LYS O O -2.726 1.242 -8.343 . . . 1.0 . . . . . . . . . . . . A . 16 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 225 . 1 1 17 ASP C C -5.771 1.605 -11.187 . . . 1.0 . . . . . . . . . . . . A . 17 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 226 . 1 1 17 ASP CA C -4.499 1.759 -10.362 . . . 1.0 . . . . . . . . . . . . A . 17 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 227 . 1 1 17 ASP CB C -3.494 2.706 -11.022 . . . 1.0 . . . . . . . . . . . . A . 17 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 228 . 1 1 17 ASP CG C -3.207 2.437 -12.492 . . . 1.0 . . . . . . . . . . . . A . 17 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 229 . 1 1 17 ASP H H -3.916 -0.186 -10.889 . . . 1.0 . . . . . . . . . . . . A . 17 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 230 . 1 1 17 ASP HA H -4.766 2.162 -9.382 . . . 1.0 . . . . . . . . . . . . A . 17 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 231 . 1 1 17 ASP HB2 H -3.873 3.714 -10.907 . . . 1.0 . . . . . . . . . . . . A . 17 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 232 . 1 1 17 ASP HB3 H -2.544 2.604 -10.502 . . . 1.0 . . . . . . . . . . . . A . 17 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 233 . 1 1 17 ASP N N -3.838 0.495 -10.146 . . . 1.0 . . . . . . . . . . . . A . 17 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 234 . 1 1 17 ASP O O -5.853 0.751 -12.064 . . . 1.0 . . . . . . . . . . . . A . 17 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 235 . 1 1 17 ASP OD1 O -2.843 1.291 -12.823 . . . 1.0 . . . . . . . . . . . . A . 17 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 236 . 1 1 17 ASP OD2 O -3.240 3.431 -13.254 . . . 1.0 . . . . . . . . . . . . A . 17 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 237 . 1 1 18 SER C C -8.894 1.374 -10.893 . . . 1.0 . . . . . . . . . . . . A . 18 SER C . . . . . . . . . rr_1aqa 1 . 1 . 238 . 1 1 18 SER CA C -8.070 2.499 -11.496 . . . 1.0 . . . . . . . . . . . . A . 18 SER CA . . . . . . . . . rr_1aqa 1 . 1 . 239 . 1 1 18 SER CB C -8.011 2.463 -13.030 . . . 1.0 . . . . . . . . . . . . A . 18 SER CB . . . . . . . . . rr_1aqa 1 . 1 . 240 . 1 1 18 SER H H -6.685 2.992 -10.042 . . . 1.0 . . . . . . . . . . . . A . 18 SER H . . . . . . . . . rr_1aqa 1 . 1 . 241 . 1 1 18 SER HA H -8.507 3.455 -11.199 . . . 1.0 . . . . . . . . . . . . A . 18 SER HA . . . . . . . . . rr_1aqa 1 . 1 . 242 . 1 1 18 SER HB2 H -7.208 3.115 -13.379 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB2 . . . . . . . . . rr_1aqa 1 . 1 . 243 . 1 1 18 SER HB3 H -7.824 1.447 -13.384 . . . 1.0 . . . . . . . . . . . . A . 18 SER HB3 . . . . . . . . . rr_1aqa 1 . 1 . 244 . 1 1 18 SER HG H -9.192 2.926 -14.514 . . . 1.0 . . . . . . . . . . . . A . 18 SER HG . . . . . . . . . rr_1aqa 1 . 1 . 245 . 1 1 18 SER N N -6.764 2.448 -10.881 . . . 1.0 . . . . . . . . . . . . A . 18 SER N . . . . . . . . . rr_1aqa 1 . 1 . 246 . 1 1 18 SER O O -8.793 0.223 -11.308 . . . 1.0 . . . . . . . . . . . . A . 18 SER O . . . . . . . . . rr_1aqa 1 . 1 . 247 . 1 1 18 SER OG O -9.240 2.929 -13.554 . . . 1.0 . . . . . . . . . . . . A . 18 SER OG . . . . . . . . . rr_1aqa 1 . 1 . 248 . 1 1 19 LYS C C -10.125 -0.280 -8.406 . . . 1.0 . . . . . . . . . . . . A . 19 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 249 . 1 1 19 LYS CA C -10.695 0.840 -9.291 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 250 . 1 1 19 LYS CB C -11.579 0.317 -10.430 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 251 . 1 1 19 LYS CD C -13.864 0.861 -9.385 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 252 . 1 1 19 LYS CE C -13.976 0.774 -7.852 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 253 . 1 1 19 LYS CG C -12.959 -0.215 -10.014 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 254 . 1 1 19 LYS H H -9.617 2.648 -9.499 . . . 1.0 . . . . . . . . . . . . A . 19 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 255 . 1 1 19 LYS HA H -11.307 1.490 -8.670 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 256 . 1 1 19 LYS HB2 H -11.701 1.135 -11.143 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 257 . 1 1 19 LYS HB3 H -11.045 -0.487 -10.934 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 258 . 1 1 19 LYS HD2 H -13.486 1.849 -9.660 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 259 . 1 1 19 LYS HD3 H -14.862 0.778 -9.821 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 260 . 1 1 19 LYS HE2 H -12.990 0.817 -7.390 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 261 . 1 1 19 LYS HE3 H -14.551 1.635 -7.503 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 262 . 1 1 19 LYS HG2 H -13.437 -0.565 -10.931 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 263 . 1 1 19 LYS HG3 H -12.832 -1.081 -9.365 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 264 . 1 1 19 LYS HZ1 H -15.569 -0.533 -7.828 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 265 . 1 1 19 LYS HZ2 H -14.103 -1.268 -7.648 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 266 . 1 1 19 LYS HZ3 H -14.764 -0.439 -6.398 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 267 . 1 1 19 LYS N N -9.669 1.706 -9.856 . . . 1.0 . . . . . . . . . . . . A . 19 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 268 . 1 1 19 LYS NZ N -14.656 -0.459 -7.403 . . . 1.0 . . . . . . . . . . . . A . 19 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 269 . 1 1 19 LYS O O -10.891 -0.986 -7.748 . . . 1.0 . . . . . . . . . . . . A . 19 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 270 . 1 1 20 SER C C -6.643 -0.900 -7.418 . . . 1.0 . . . . . . . . . . . . A . 20 SER C . . . . . . . . . rr_1aqa 1 . 1 . 271 . 1 1 20 SER CA C -8.081 -1.405 -7.539 . . . 1.0 . . . . . . . . . . . . A . 20 SER CA . . . . . . . . . rr_1aqa 1 . 1 . 272 . 1 1 20 SER CB C -8.127 -2.799 -8.175 . . . 1.0 . . . . . . . . . . . . A . 20 SER CB . . . . . . . . . rr_1aqa 1 . 1 . 273 . 1 1 20 SER H H -8.235 0.094 -9.007 . . . 1.0 . . . . . . . . . . . . A . 20 SER H . . . . . . . . . rr_1aqa 1 . 1 . 274 . 1 1 20 SER HA H -8.531 -1.454 -6.546 . . . 1.0 . . . . . . . . . . . . A . 20 SER HA . . . . . . . . . rr_1aqa 1 . 1 . 275 . 1 1 20 SER HB2 H -7.804 -2.743 -9.217 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB2 . . . . . . . . . rr_1aqa 1 . 1 . 276 . 1 1 20 SER HB3 H -7.452 -3.464 -7.638 . . . 1.0 . . . . . . . . . . . . A . 20 SER HB3 . . . . . . . . . rr_1aqa 1 . 1 . 277 . 1 1 20 SER HG H -10.069 -2.610 -8.065 . . . 1.0 . . . . . . . . . . . . A . 20 SER HG . . . . . . . . . rr_1aqa 1 . 1 . 278 . 1 1 20 SER N N -8.801 -0.461 -8.381 . . . 1.0 . . . . . . . . . . . . A . 20 SER N . . . . . . . . . rr_1aqa 1 . 1 . 279 . 1 1 20 SER O O -5.862 -1.080 -8.348 . . . 1.0 . . . . . . . . . . . . A . 20 SER O . . . . . . . . . rr_1aqa 1 . 1 . 280 . 1 1 20 SER OG O -9.433 -3.335 -8.090 . . . 1.0 . . . . . . . . . . . . A . 20 SER OG . . . . . . . . . rr_1aqa 1 . 1 . 281 . 1 1 21 THR C C -4.589 0.116 -4.732 . . . 1.0 . . . . . . . . . . . . A . 21 THR C . . . . . . . . . rr_1aqa 1 . 1 . 282 . 1 1 21 THR CA C -5.064 0.477 -6.130 . . . 1.0 . . . . . . . . . . . . A . 21 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 283 . 1 1 21 THR CB C -5.353 1.981 -6.269 . . . 1.0 . . . . . . . . . . . . A . 21 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 284 . 1 1 21 THR CG2 C -4.108 2.868 -6.172 . . . 1.0 . . . . . . . . . . . . A . 21 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 285 . 1 1 21 THR H H -6.954 -0.146 -5.529 . . . 1.0 . . . . . . . . . . . . A . 21 THR H . . . . . . . . . rr_1aqa 1 . 1 . 286 . 1 1 21 THR HA H -4.320 0.164 -6.856 . . . 1.0 . . . . . . . . . . . . A . 21 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 287 . 1 1 21 THR HB H -5.995 2.277 -5.455 . . . 1.0 . . . . . . . . . . . . A . 21 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 288 . 1 1 21 THR HG1 H -5.802 3.092 -7.787 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 289 . 1 1 21 THR HG21 H -3.383 2.431 -5.486 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 290 . 1 1 21 THR HG22 H -3.642 3.017 -7.140 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 291 . 1 1 21 THR HG23 H -4.398 3.842 -5.787 . . . 1.0 . . . . . . . . . . . . A . 21 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 292 . 1 1 21 THR N N -6.310 -0.243 -6.302 . . . 1.0 . . . . . . . . . . . . A . 21 THR N . . . . . . . . . rr_1aqa 1 . 1 . 293 . 1 1 21 THR O O -4.926 0.811 -3.776 . . . 1.0 . . . . . . . . . . . . A . 21 THR O . . . . . . . . . rr_1aqa 1 . 1 . 294 . 1 1 21 THR OG1 O -6.106 2.255 -7.433 . . . 1.0 . . . . . . . . . . . . A . 21 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 295 . 1 1 22 TRP C C -2.110 -1.287 -2.985 . . . 1.0 . . . . . . . . . . . . A . 22 TRP C . . . . . . . . . rr_1aqa 1 . 1 . 296 . 1 1 22 TRP CA C -3.583 -1.569 -3.279 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CA . . . . . . . . . rr_1aqa 1 . 1 . 297 . 1 1 22 TRP CB C -3.907 -3.065 -3.213 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CB . . . . . . . . . rr_1aqa 1 . 1 . 298 . 1 1 22 TRP CD1 C -6.405 -2.743 -3.678 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD1 . . . . . . . . . rr_1aqa 1 . 1 . 299 . 1 1 22 TRP CD2 C -5.849 -4.877 -3.307 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD2 . . . . . . . . . rr_1aqa 1 . 1 . 300 . 1 1 22 TRP CE2 C -7.263 -4.844 -3.494 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE2 . . . . . . . . . rr_1aqa 1 . 1 . 301 . 1 1 22 TRP CE3 C -5.266 -6.144 -3.091 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE3 . . . . . . . . . rr_1aqa 1 . 1 . 302 . 1 1 22 TRP CG C -5.329 -3.516 -3.405 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CG . . . . . . . . . rr_1aqa 1 . 1 . 303 . 1 1 22 TRP CH2 C -7.441 -7.243 -3.229 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CH2 . . . . . . . . . rr_1aqa 1 . 1 . 304 . 1 1 22 TRP CZ2 C -8.056 -6.000 -3.447 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ2 . . . . . . . . . rr_1aqa 1 . 1 . 305 . 1 1 22 TRP CZ3 C -6.047 -7.313 -3.066 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ3 . . . . . . . . . rr_1aqa 1 . 1 . 306 . 1 1 22 TRP H H -3.622 -1.539 -5.414 . . . 1.0 . . . . . . . . . . . . A . 22 TRP H . . . . . . . . . rr_1aqa 1 . 1 . 307 . 1 1 22 TRP HA H -4.162 -1.074 -2.508 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HA . . . . . . . . . rr_1aqa 1 . 1 . 308 . 1 1 22 TRP HB2 H -3.292 -3.580 -3.947 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 309 . 1 1 22 TRP HB3 H -3.619 -3.403 -2.218 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 310 . 1 1 22 TRP HD1 H -6.399 -1.674 -3.805 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HD1 . . . . . . . . . rr_1aqa 1 . 1 . 311 . 1 1 22 TRP HE1 H -8.466 -3.131 -3.869 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE1 . . . . . . . . . rr_1aqa 1 . 1 . 312 . 1 1 22 TRP HE3 H -4.200 -6.219 -2.961 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE3 . . . . . . . . . rr_1aqa 1 . 1 . 313 . 1 1 22 TRP HH2 H -8.036 -8.144 -3.201 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HH2 . . . . . . . . . rr_1aqa 1 . 1 . 314 . 1 1 22 TRP HZ2 H -9.126 -5.935 -3.583 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 315 . 1 1 22 TRP HZ3 H -5.566 -8.269 -2.935 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 316 . 1 1 22 TRP N N -3.931 -1.033 -4.587 . . . 1.0 . . . . . . . . . . . . A . 22 TRP N . . . . . . . . . rr_1aqa 1 . 1 . 317 . 1 1 22 TRP NE1 N -7.545 -3.516 -3.719 . . . 1.0 . . . . . . . . . . . . A . 22 TRP NE1 . . . . . . . . . rr_1aqa 1 . 1 . 318 . 1 1 22 TRP O O -1.337 -1.035 -3.907 . . . 1.0 . . . . . . . . . . . . A . 22 TRP O . . . . . . . . . rr_1aqa 1 . 1 . 319 . 1 1 23 VAL C C 0.003 -1.960 -0.163 . . . 1.0 . . . . . . . . . . . . A . 23 VAL C . . . . . . . . . rr_1aqa 1 . 1 . 320 . 1 1 23 VAL CA C -0.361 -0.988 -1.281 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CA . . . . . . . . . rr_1aqa 1 . 1 . 321 . 1 1 23 VAL CB C -0.306 0.474 -0.791 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CB . . . . . . . . . rr_1aqa 1 . 1 . 322 . 1 1 23 VAL CG1 C -0.436 1.466 -1.953 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CG1 . . . . . . . . . rr_1aqa 1 . 1 . 323 . 1 1 23 VAL CG2 C -1.395 0.821 0.238 . . . 1.0 . . . . . . . . . . . . A . 23 VAL CG2 . . . . . . . . . rr_1aqa 1 . 1 . 324 . 1 1 23 VAL H H -2.380 -1.530 -0.969 . . . 1.0 . . . . . . . . . . . . A . 23 VAL H . . . . . . . . . rr_1aqa 1 . 1 . 325 . 1 1 23 VAL HA H 0.353 -1.125 -2.096 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HA . . . . . . . . . rr_1aqa 1 . 1 . 326 . 1 1 23 VAL HB H 0.668 0.633 -0.328 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HB . . . . . . . . . rr_1aqa 1 . 1 . 327 . 1 1 23 VAL HG11 H 0.285 1.223 -2.731 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG11 . . . . . . . . . rr_1aqa 1 . 1 . 328 . 1 1 23 VAL HG12 H -1.447 1.445 -2.366 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG12 . . . . . . . . . rr_1aqa 1 . 1 . 329 . 1 1 23 VAL HG13 H -0.230 2.474 -1.595 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG13 . . . . . . . . . rr_1aqa 1 . 1 . 330 . 1 1 23 VAL HG21 H -1.401 0.127 1.075 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG21 . . . . . . . . . rr_1aqa 1 . 1 . 331 . 1 1 23 VAL HG22 H -1.205 1.819 0.631 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG22 . . . . . . . . . rr_1aqa 1 . 1 . 332 . 1 1 23 VAL HG23 H -2.379 0.807 -0.228 . . . 1.0 . . . . . . . . . . . . A . 23 VAL HG23 . . . . . . . . . rr_1aqa 1 . 1 . 333 . 1 1 23 VAL N N -1.716 -1.307 -1.710 . . . 1.0 . . . . . . . . . . . . A . 23 VAL N . . . . . . . . . rr_1aqa 1 . 1 . 334 . 1 1 23 VAL O O -0.858 -2.217 0.679 . . . 1.0 . . . . . . . . . . . . A . 23 VAL O . . . . . . . . . rr_1aqa 1 . 1 . 335 . 1 1 24 ILE C C 2.310 -2.364 2.003 . . . 1.0 . . . . . . . . . . . . A . 24 ILE C . . . . . . . . . rr_1aqa 1 . 1 . 336 . 1 1 24 ILE CA C 1.633 -3.313 1.016 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CA . . . . . . . . . rr_1aqa 1 . 1 . 337 . 1 1 24 ILE CB C 2.609 -4.428 0.602 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CB . . . . . . . . . rr_1aqa 1 . 1 . 338 . 1 1 24 ILE CD1 C 3.231 -6.039 -1.249 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 339 . 1 1 24 ILE CG1 C 2.083 -5.304 -0.545 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CG1 . . . . . . . . . rr_1aqa 1 . 1 . 340 . 1 1 24 ILE CG2 C 2.916 -5.286 1.841 . . . 1.0 . . . . . . . . . . . . A . 24 ILE CG2 . . . . . . . . . rr_1aqa 1 . 1 . 341 . 1 1 24 ILE H H 1.940 -2.352 -0.845 . . . 1.0 . . . . . . . . . . . . A . 24 ILE H . . . . . . . . . rr_1aqa 1 . 1 . 342 . 1 1 24 ILE HA H 0.755 -3.779 1.468 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HA . . . . . . . . . rr_1aqa 1 . 1 . 343 . 1 1 24 ILE HB H 3.529 -3.968 0.256 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HB . . . . . . . . . rr_1aqa 1 . 1 . 344 . 1 1 24 ILE HD11 H 3.919 -6.475 -0.533 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD11 . . . . . . . . . rr_1aqa 1 . 1 . 345 . 1 1 24 ILE HD12 H 2.839 -6.843 -1.868 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD12 . . . . . . . . . rr_1aqa 1 . 1 . 346 . 1 1 24 ILE HD13 H 3.784 -5.341 -1.877 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HD13 . . . . . . . . . rr_1aqa 1 . 1 . 347 . 1 1 24 ILE HG12 H 1.367 -6.013 -0.141 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG12 . . . . . . . . . rr_1aqa 1 . 1 . 348 . 1 1 24 ILE HG13 H 1.579 -4.703 -1.301 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG13 . . . . . . . . . rr_1aqa 1 . 1 . 349 . 1 1 24 ILE HG21 H 3.372 -4.686 2.628 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG21 . . . . . . . . . rr_1aqa 1 . 1 . 350 . 1 1 24 ILE HG22 H 1.997 -5.733 2.224 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG22 . . . . . . . . . rr_1aqa 1 . 1 . 351 . 1 1 24 ILE HG23 H 3.613 -6.080 1.594 . . . 1.0 . . . . . . . . . . . . A . 24 ILE HG23 . . . . . . . . . rr_1aqa 1 . 1 . 352 . 1 1 24 ILE N N 1.227 -2.512 -0.130 . . . 1.0 . . . . . . . . . . . . A . 24 ILE N . . . . . . . . . rr_1aqa 1 . 1 . 353 . 1 1 24 ILE O O 3.486 -2.047 1.815 . . . 1.0 . . . . . . . . . . . . A . 24 ILE O . . . . . . . . . rr_1aqa 1 . 1 . 354 . 1 1 25 LEU C C 2.362 -1.651 5.369 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 355 . 1 1 25 LEU CA C 2.116 -0.971 4.024 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 356 . 1 1 25 LEU CB C 1.193 0.244 4.167 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 357 . 1 1 25 LEU CD1 C 0.455 2.464 3.192 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 358 . 1 1 25 LEU CD2 C 2.478 1.383 2.291 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 359 . 1 1 25 LEU CG C 1.106 1.110 2.896 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 360 . 1 1 25 LEU H H 0.639 -2.228 3.157 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 361 . 1 1 25 LEU HA H 3.078 -0.601 3.702 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 362 . 1 1 25 LEU HB2 H 0.200 -0.117 4.427 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 363 . 1 1 25 LEU HB3 H 1.572 0.857 4.986 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 364 . 1 1 25 LEU HD11 H 0.930 2.923 4.056 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 365 . 1 1 25 LEU HD12 H 0.549 3.131 2.337 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 366 . 1 1 25 LEU HD13 H -0.599 2.339 3.393 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 367 . 1 1 25 LEU HD21 H 3.169 1.694 3.071 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 368 . 1 1 25 LEU HD22 H 2.837 0.472 1.826 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 369 . 1 1 25 LEU HD23 H 2.412 2.152 1.524 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 370 . 1 1 25 LEU HG H 0.515 0.583 2.152 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 371 . 1 1 25 LEU N N 1.596 -1.907 3.035 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 372 . 1 1 25 LEU O O 1.424 -1.970 6.093 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 373 . 1 1 26 HIS C C 3.492 -3.824 7.118 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 374 . 1 1 26 HIS CA C 4.112 -2.446 6.941 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 375 . 1 1 26 HIS CB C 3.902 -1.478 8.116 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 376 . 1 1 26 HIS CD2 C 4.678 -2.580 10.308 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 377 . 1 1 26 HIS CE1 C 6.584 -1.533 10.599 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 378 . 1 1 26 HIS CG C 4.851 -1.708 9.265 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 379 . 1 1 26 HIS H H 4.347 -1.687 4.989 . . . 1.0 . . . . . . . . . . . . A . 26 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 380 . 1 1 26 HIS HA H 5.177 -2.632 6.813 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 381 . 1 1 26 HIS HB2 H 4.080 -0.462 7.762 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 382 . 1 1 26 HIS HB3 H 2.871 -1.537 8.469 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 383 . 1 1 26 HIS HD1 H 6.461 -0.319 8.889 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 384 . 1 1 26 HIS HD2 H 3.836 -3.237 10.465 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 385 . 1 1 26 HIS HE1 H 7.523 -1.202 11.018 . . . 1.0 . . . . . . . . . . . . A . 26 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 386 . 1 1 26 HIS N N 3.641 -1.855 5.698 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 387 . 1 1 26 HIS ND1 N 6.049 -1.056 9.464 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 388 . 1 1 26 HIS NE2 N 5.785 -2.459 11.155 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 389 . 1 1 26 HIS O O 2.955 -4.170 8.168 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 390 . 1 1 27 HIS C C 1.498 -5.859 6.260 . . . 1.0 . . . . . . . . . . . . A . 27 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 391 . 1 1 27 HIS CA C 2.991 -5.922 5.925 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 392 . 1 1 27 HIS CB C 3.729 -6.959 6.784 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 393 . 1 1 27 HIS CD2 C 5.417 -8.012 5.184 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 394 . 1 1 27 HIS CE1 C 7.296 -7.445 6.168 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 395 . 1 1 27 HIS CG C 5.115 -7.263 6.289 . . . 1.0 . . . . . . . . . . . . A . 27 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 396 . 1 1 27 HIS H H 4.043 -4.172 5.232 . . . 1.0 . . . . . . . . . . . . A . 27 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 397 . 1 1 27 HIS HA H 3.092 -6.209 4.882 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 398 . 1 1 27 HIS HB2 H 3.772 -6.630 7.823 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 399 . 1 1 27 HIS HB3 H 3.169 -7.895 6.753 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 400 . 1 1 27 HIS HD1 H 6.402 -6.365 7.739 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 401 . 1 1 27 HIS HD2 H 4.711 -8.462 4.502 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 402 . 1 1 27 HIS HE1 H 8.347 -7.356 6.400 . . . 1.0 . . . . . . . . . . . . A . 27 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 403 . 1 1 27 HIS N N 3.599 -4.602 6.040 . . . 1.0 . . . . . . . . . . . . A . 27 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 404 . 1 1 27 HIS ND1 N 6.299 -6.912 6.897 . . . 1.0 . . . . . . . . . . . . A . 27 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 405 . 1 1 27 HIS NE2 N 6.804 -8.127 5.122 . . . 1.0 . . . . . . . . . . . . A . 27 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 406 . 1 1 27 HIS O O 1.029 -6.469 7.220 . . . 1.0 . . . . . . . . . . . . A . 27 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 407 . 1 1 28 LYS C C -1.197 -4.258 4.309 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 408 . 1 1 28 LYS CA C -0.668 -4.905 5.581 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 409 . 1 1 28 LYS CB C -1.016 -4.159 6.881 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 410 . 1 1 28 LYS CD C -1.329 -4.911 9.308 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 411 . 1 1 28 LYS CE C -1.999 -6.013 10.161 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 412 . 1 1 28 LYS CG C -1.760 -5.094 7.851 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 413 . 1 1 28 LYS H H 1.188 -4.689 4.644 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 414 . 1 1 28 LYS HA H -1.109 -5.885 5.604 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 415 . 1 1 28 LYS HB2 H -0.100 -3.795 7.346 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 416 . 1 1 28 LYS HB3 H -1.641 -3.297 6.656 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 417 . 1 1 28 LYS HD2 H -0.239 -4.993 9.343 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 418 . 1 1 28 LYS HD3 H -1.600 -3.908 9.642 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 419 . 1 1 28 LYS HE2 H -2.768 -5.585 10.804 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 420 . 1 1 28 LYS HE3 H -2.498 -6.745 9.522 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 421 . 1 1 28 LYS HG2 H -2.835 -4.952 7.736 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 422 . 1 1 28 LYS HG3 H -1.535 -6.131 7.613 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 423 . 1 1 28 LYS HZ1 H -0.141 -6.834 10.496 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 424 . 1 1 28 LYS HZ2 H -0.917 -6.381 11.897 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 425 . 1 1 28 LYS HZ3 H -1.332 -7.745 11.051 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 426 . 1 1 28 LYS N N 0.757 -5.108 5.447 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 427 . 1 1 28 LYS NZ N -1.027 -6.771 10.974 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 428 . 1 1 28 LYS O O -0.704 -3.220 3.876 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 429 . 1 1 29 VAL C C -3.885 -3.556 2.779 . . . 1.0 . . . . . . . . . . . . A . 29 VAL C . . . . . . . . . rr_1aqa 1 . 1 . 430 . 1 1 29 VAL CA C -2.751 -4.503 2.430 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CA . . . . . . . . . rr_1aqa 1 . 1 . 431 . 1 1 29 VAL CB C -3.262 -5.692 1.605 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CB . . . . . . . . . rr_1aqa 1 . 1 . 432 . 1 1 29 VAL CG1 C -3.556 -5.231 0.176 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG1 . . . . . . . . . rr_1aqa 1 . 1 . 433 . 1 1 29 VAL CG2 C -2.245 -6.828 1.556 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG2 . . . . . . . . . rr_1aqa 1 . 1 . 434 . 1 1 29 VAL H H -2.551 -5.742 4.127 . . . 1.0 . . . . . . . . . . . . A . 29 VAL H . . . . . . . . . rr_1aqa 1 . 1 . 435 . 1 1 29 VAL HA H -1.993 -3.995 1.839 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HA . . . . . . . . . rr_1aqa 1 . 1 . 436 . 1 1 29 VAL HB H -4.171 -6.089 2.052 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HB . . . . . . . . . rr_1aqa 1 . 1 . 437 . 1 1 29 VAL HG11 H -4.260 -4.400 0.185 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG11 . . . . . . . . . rr_1aqa 1 . 1 . 438 . 1 1 29 VAL HG12 H -2.631 -4.909 -0.303 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG12 . . . . . . . . . rr_1aqa 1 . 1 . 439 . 1 1 29 VAL HG13 H -3.987 -6.058 -0.388 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG13 . . . . . . . . . rr_1aqa 1 . 1 . 440 . 1 1 29 VAL HG21 H -1.247 -6.441 1.346 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG21 . . . . . . . . . rr_1aqa 1 . 1 . 441 . 1 1 29 VAL HG22 H -2.259 -7.333 2.516 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG22 . . . . . . . . . rr_1aqa 1 . 1 . 442 . 1 1 29 VAL HG23 H -2.524 -7.548 0.790 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG23 . . . . . . . . . rr_1aqa 1 . 1 . 443 . 1 1 29 VAL N N -2.152 -4.932 3.671 . . . 1.0 . . . . . . . . . . . . A . 29 VAL N . . . . . . . . . rr_1aqa 1 . 1 . 444 . 1 1 29 VAL O O -4.830 -3.946 3.473 . . . 1.0 . . . . . . . . . . . . A . 29 VAL O . . . . . . . . . rr_1aqa 1 . 1 . 445 . 1 1 30 TYR C C -5.168 -1.324 0.724 . . . 1.0 . . . . . . . . . . . . A . 30 TYR C . . . . . . . . . rr_1aqa 1 . 1 . 446 . 1 1 30 TYR CA C -4.902 -1.415 2.209 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CA . . . . . . . . . rr_1aqa 1 . 1 . 447 . 1 1 30 TYR CB C -4.540 -0.031 2.761 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CB . . . . . . . . . rr_1aqa 1 . 1 . 448 . 1 1 30 TYR CD1 C -3.978 -0.981 5.058 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CD1 . . . . . . . . . rr_1aqa 1 . 1 . 449 . 1 1 30 TYR CD2 C -2.803 0.989 4.267 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CD2 . . . . . . . . . rr_1aqa 1 . 1 . 450 . 1 1 30 TYR CE1 C -3.181 -0.990 6.214 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CE1 . . . . . . . . . rr_1aqa 1 . 1 . 451 . 1 1 30 TYR CE2 C -1.977 0.948 5.403 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CE2 . . . . . . . . . rr_1aqa 1 . 1 . 452 . 1 1 30 TYR CG C -3.778 -0.001 4.071 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CG . . . . . . . . . rr_1aqa 1 . 1 . 453 . 1 1 30 TYR CZ C -2.192 -0.017 6.396 . . . 1.0 . . . . . . . . . . . . A . 30 TYR CZ . . . . . . . . . rr_1aqa 1 . 1 . 454 . 1 1 30 TYR H H -3.090 -2.131 1.581 . . . 1.0 . . . . . . . . . . . . A . 30 TYR H . . . . . . . . . rr_1aqa 1 . 1 . 455 . 1 1 30 TYR HA H -5.774 -1.802 2.734 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HA . . . . . . . . . rr_1aqa 1 . 1 . 456 . 1 1 30 TYR HB2 H -3.930 0.478 2.012 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HB2 . . . . . . . . . rr_1aqa 1 . 1 . 457 . 1 1 30 TYR HB3 H -5.461 0.542 2.878 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HB3 . . . . . . . . . rr_1aqa 1 . 1 . 458 . 1 1 30 TYR HD1 H -4.726 -1.739 4.921 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HD1 . . . . . . . . . rr_1aqa 1 . 1 . 459 . 1 1 30 TYR HD2 H -2.674 1.758 3.521 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HD2 . . . . . . . . . rr_1aqa 1 . 1 . 460 . 1 1 30 TYR HE1 H -3.335 -1.720 6.985 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HE1 . . . . . . . . . rr_1aqa 1 . 1 . 461 . 1 1 30 TYR HE2 H -1.116 1.591 5.473 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HE2 . . . . . . . . . rr_1aqa 1 . 1 . 462 . 1 1 30 TYR HH H -1.164 0.929 7.754 . . . 1.0 . . . . . . . . . . . . A . 30 TYR HH . . . . . . . . . rr_1aqa 1 . 1 . 463 . 1 1 30 TYR N N -3.798 -2.330 2.272 . . . 1.0 . . . . . . . . . . . . A . 30 TYR N . . . . . . . . . rr_1aqa 1 . 1 . 464 . 1 1 30 TYR O O -4.230 -1.178 -0.065 . . . 1.0 . . . . . . . . . . . . A . 30 TYR O . . . . . . . . . rr_1aqa 1 . 1 . 465 . 1 1 30 TYR OH O -1.513 0.045 7.576 . . . 1.0 . . . . . . . . . . . . A . 30 TYR OH . . . . . . . . . rr_1aqa 1 . 1 . 466 . 1 1 31 ASP C C -6.883 0.741 -0.588 . . . 1.0 . . . . . . . . . . . . A . 31 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 467 . 1 1 31 ASP CA C -6.893 -0.764 -0.844 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 468 . 1 1 31 ASP CB C -8.275 -1.261 -1.289 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 469 . 1 1 31 ASP CG C -9.410 -0.472 -0.656 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 470 . 1 1 31 ASP H H -7.071 -1.551 1.148 . . . 1.0 . . . . . . . . . . . . A . 31 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 471 . 1 1 31 ASP HA H -6.193 -0.989 -1.644 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 472 . 1 1 31 ASP HB2 H -8.365 -1.116 -2.364 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 473 . 1 1 31 ASP HB3 H -8.395 -2.320 -1.073 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 474 . 1 1 31 ASP N N -6.439 -1.414 0.373 . . . 1.0 . . . . . . . . . . . . A . 31 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 475 . 1 1 31 ASP O O -7.164 1.185 0.525 . . . 1.0 . . . . . . . . . . . . A . 31 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 476 . 1 1 31 ASP OD1 O -9.781 0.548 -1.279 . . . 1.0 . . . . . . . . . . . . A . 31 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 477 . 1 1 31 ASP OD2 O -9.869 -0.906 0.421 . . . 1.0 . . . . . . . . . . . . A . 31 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 478 . 1 1 32 LEU C C -7.204 3.485 -2.940 . . . 1.0 . . . . . . . . . . . . A . 32 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 479 . 1 1 32 LEU CA C -6.735 2.957 -1.582 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 480 . 1 1 32 LEU CB C -5.518 3.645 -0.944 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 481 . 1 1 32 LEU CD1 C -3.849 3.941 -2.834 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 482 . 1 1 32 LEU CD2 C -3.106 3.722 -0.464 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 483 . 1 1 32 LEU CG C -4.137 3.266 -1.494 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 484 . 1 1 32 LEU H H -6.054 1.131 -2.405 . . . 1.0 . . . . . . . . . . . . A . 32 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 485 . 1 1 32 LEU HA H -7.597 3.146 -0.947 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 486 . 1 1 32 LEU HB2 H -5.622 4.722 -0.989 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 487 . 1 1 32 LEU HB3 H -5.522 3.357 0.108 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 488 . 1 1 32 LEU HD11 H -3.932 5.024 -2.741 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 489 . 1 1 32 LEU HD12 H -2.844 3.684 -3.168 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 490 . 1 1 32 LEU HD13 H -4.563 3.584 -3.569 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 491 . 1 1 32 LEU HD21 H -3.234 4.782 -0.248 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 492 . 1 1 32 LEU HD22 H -3.249 3.146 0.450 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 493 . 1 1 32 LEU HD23 H -2.104 3.551 -0.846 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 494 . 1 1 32 LEU HG H -4.043 2.185 -1.605 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 495 . 1 1 32 LEU N N -6.530 1.525 -1.604 . . . 1.0 . . . . . . . . . . . . A . 32 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 496 . 1 1 32 LEU O O -6.936 4.631 -3.305 . . . 1.0 . . . . . . . . . . . . A . 32 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 497 . 1 1 33 THR C C -9.813 4.078 -4.671 . . . 1.0 . . . . . . . . . . . . A . 33 THR C . . . . . . . . . rr_1aqa 1 . 1 . 498 . 1 1 33 THR CA C -8.712 3.016 -4.878 . . . 1.0 . . . . . . . . . . . . A . 33 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 499 . 1 1 33 THR CB C -9.260 1.741 -5.547 . . . 1.0 . . . . . . . . . . . . A . 33 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 500 . 1 1 33 THR CG2 C -10.136 0.873 -4.634 . . . 1.0 . . . . . . . . . . . . A . 33 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 501 . 1 1 33 THR H H -8.088 1.720 -3.276 . . . 1.0 . . . . . . . . . . . . A . 33 THR H . . . . . . . . . rr_1aqa 1 . 1 . 502 . 1 1 33 THR HA H -8.007 3.447 -5.590 . . . 1.0 . . . . . . . . . . . . A . 33 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 503 . 1 1 33 THR HB H -8.418 1.143 -5.875 . . . 1.0 . . . . . . . . . . . . A . 33 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 504 . 1 1 33 THR HG1 H -10.703 2.668 -6.426 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 505 . 1 1 33 THR HG21 H -10.957 1.451 -4.210 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 506 . 1 1 33 THR HG22 H -10.550 0.044 -5.207 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 507 . 1 1 33 THR HG23 H -9.548 0.457 -3.818 . . . 1.0 . . . . . . . . . . . . A . 33 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 508 . 1 1 33 THR N N -7.986 2.660 -3.650 . . . 1.0 . . . . . . . . . . . . A . 33 THR N . . . . . . . . . rr_1aqa 1 . 1 . 509 . 1 1 33 THR O O -10.966 3.867 -5.050 . . . 1.0 . . . . . . . . . . . . A . 33 THR O . . . . . . . . . rr_1aqa 1 . 1 . 510 . 1 1 33 THR OG1 O -9.992 2.074 -6.703 . . . 1.0 . . . . . . . . . . . . A . 33 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 511 . 1 1 34 LYS C C -9.463 7.560 -3.490 . . . 1.0 . . . . . . . . . . . . A . 34 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 512 . 1 1 34 LYS CA C -10.329 6.408 -3.992 . . . 1.0 . . . . . . . . . . . . A . 34 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 513 . 1 1 34 LYS CB C -11.465 6.091 -2.998 . . . 1.0 . . . . . . . . . . . . A . 34 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 514 . 1 1 34 LYS CD C -13.611 7.330 -3.753 . . . 1.0 . . . . . . . . . . . . A . 34 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 515 . 1 1 34 LYS CE C -13.313 8.151 -5.018 . . . 1.0 . . . . . . . . . . . . A . 34 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 516 . 1 1 34 LYS CG C -12.463 7.232 -2.727 . . . 1.0 . . . . . . . . . . . . A . 34 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 517 . 1 1 34 LYS H H -8.476 5.359 -3.912 . . . 1.0 . . . . . . . . . . . . A . 34 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 518 . 1 1 34 LYS HA H -10.729 6.655 -4.972 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 519 . 1 1 34 LYS HB2 H -12.030 5.222 -3.331 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 520 . 1 1 34 LYS HB3 H -11.006 5.826 -2.044 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 521 . 1 1 34 LYS HD2 H -13.910 6.322 -4.049 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 522 . 1 1 34 LYS HD3 H -14.472 7.780 -3.254 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 523 . 1 1 34 LYS HE2 H -12.484 7.723 -5.577 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 524 . 1 1 34 LYS HE3 H -14.193 8.116 -5.665 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 525 . 1 1 34 LYS HG2 H -12.935 6.985 -1.773 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 526 . 1 1 34 LYS HG3 H -11.952 8.183 -2.578 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 527 . 1 1 34 LYS HZ1 H -13.790 10.032 -4.275 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 528 . 1 1 34 LYS HZ2 H -12.182 9.673 -4.167 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 529 . 1 1 34 LYS HZ3 H -12.828 10.074 -5.589 . . . 1.0 . . . . . . . . . . . . A . 34 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 530 . 1 1 34 LYS N N -9.455 5.250 -4.149 . . . 1.0 . . . . . . . . . . . . A . 34 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 531 . 1 1 34 LYS NZ N -13.016 9.566 -4.723 . . . 1.0 . . . . . . . . . . . . A . 34 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 532 . 1 1 34 LYS O O -9.453 8.651 -4.060 . . . 1.0 . . . . . . . . . . . . A . 34 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 533 . 1 1 35 PHE C C -6.791 8.815 -2.658 . . . 1.0 . . . . . . . . . . . . A . 35 PHE C . . . . . . . . . rr_1aqa 1 . 1 . 534 . 1 1 35 PHE CA C -7.828 8.175 -1.723 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CA . . . . . . . . . rr_1aqa 1 . 1 . 535 . 1 1 35 PHE CB C -7.168 7.400 -0.582 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CB . . . . . . . . . rr_1aqa 1 . 1 . 536 . 1 1 35 PHE CD1 C -6.954 9.168 1.198 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 537 . 1 1 35 PHE CD2 C -4.925 8.217 0.240 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CD2 . . . . . . . . . rr_1aqa 1 . 1 . 538 . 1 1 35 PHE CE1 C -6.186 10.112 1.896 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CE1 . . . . . . . . . rr_1aqa 1 . 1 . 539 . 1 1 35 PHE CE2 C -4.156 9.127 0.979 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CE2 . . . . . . . . . rr_1aqa 1 . 1 . 540 . 1 1 35 PHE CG C -6.328 8.253 0.333 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CG . . . . . . . . . rr_1aqa 1 . 1 . 541 . 1 1 35 PHE CZ C -4.787 10.102 1.772 . . . 1.0 . . . . . . . . . . . . A . 35 PHE CZ . . . . . . . . . rr_1aqa 1 . 1 . 542 . 1 1 35 PHE H H -8.812 6.335 -2.044 . . . 1.0 . . . . . . . . . . . . A . 35 PHE H . . . . . . . . . rr_1aqa 1 . 1 . 543 . 1 1 35 PHE HA H -8.444 8.966 -1.294 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HA . . . . . . . . . rr_1aqa 1 . 1 . 544 . 1 1 35 PHE HB2 H -7.936 6.920 0.026 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HB2 . . . . . . . . . rr_1aqa 1 . 1 . 545 . 1 1 35 PHE HB3 H -6.546 6.630 -1.026 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HB3 . . . . . . . . . rr_1aqa 1 . 1 . 546 . 1 1 35 PHE HD1 H -8.033 9.209 1.274 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HD1 . . . . . . . . . rr_1aqa 1 . 1 . 547 . 1 1 35 PHE HD2 H -4.429 7.522 -0.422 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HD2 . . . . . . . . . rr_1aqa 1 . 1 . 548 . 1 1 35 PHE HE1 H -6.686 10.863 2.494 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HE1 . . . . . . . . . rr_1aqa 1 . 1 . 549 . 1 1 35 PHE HE2 H -3.079 9.081 0.912 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HE2 . . . . . . . . . rr_1aqa 1 . 1 . 550 . 1 1 35 PHE HZ H -4.200 10.847 2.284 . . . 1.0 . . . . . . . . . . . . A . 35 PHE HZ . . . . . . . . . rr_1aqa 1 . 1 . 551 . 1 1 35 PHE N N -8.716 7.265 -2.424 . . . 1.0 . . . . . . . . . . . . A . 35 PHE N . . . . . . . . . rr_1aqa 1 . 1 . 552 . 1 1 35 PHE O O -6.326 9.923 -2.401 . . . 1.0 . . . . . . . . . . . . A . 35 PHE O . . . . . . . . . rr_1aqa 1 . 1 . 553 . 1 1 36 LEU C C -6.171 10.188 -5.184 . . . 1.0 . . . . . . . . . . . . A . 36 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 554 . 1 1 36 LEU CA C -5.793 8.723 -4.932 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 555 . 1 1 36 LEU CB C -6.123 7.880 -6.171 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 556 . 1 1 36 LEU CD1 C -6.012 5.627 -7.243 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 557 . 1 1 36 LEU CD2 C -3.907 6.763 -6.678 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 558 . 1 1 36 LEU CG C -5.352 6.553 -6.224 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 559 . 1 1 36 LEU H H -6.832 7.206 -3.867 . . . 1.0 . . . . . . . . . . . . A . 36 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 560 . 1 1 36 LEU HA H -4.728 8.703 -4.757 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 561 . 1 1 36 LEU HB2 H -7.196 7.677 -6.174 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 562 . 1 1 36 LEU HB3 H -5.888 8.448 -7.072 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 563 . 1 1 36 LEU HD11 H -6.393 6.203 -8.085 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 564 . 1 1 36 LEU HD12 H -5.264 4.932 -7.616 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 565 . 1 1 36 LEU HD13 H -6.828 5.086 -6.767 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 566 . 1 1 36 LEU HD21 H -3.420 7.464 -6.015 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 567 . 1 1 36 LEU HD22 H -3.353 5.824 -6.651 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 568 . 1 1 36 LEU HD23 H -3.893 7.147 -7.697 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 569 . 1 1 36 LEU HG H -5.352 6.075 -5.243 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 570 . 1 1 36 LEU N N -6.476 8.146 -3.774 . . . 1.0 . . . . . . . . . . . . A . 36 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 571 . 1 1 36 LEU O O -5.306 11.041 -5.364 . . . 1.0 . . . . . . . . . . . . A . 36 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 572 . 1 1 37 GLU C C -7.858 12.749 -4.319 . . . 1.0 . . . . . . . . . . . . A . 37 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 573 . 1 1 37 GLU CA C -8.040 11.775 -5.498 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 574 . 1 1 37 GLU CB C -9.526 11.537 -5.810 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 575 . 1 1 37 GLU CD C -11.677 12.366 -6.866 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 576 . 1 1 37 GLU CG C -10.214 12.681 -6.565 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 577 . 1 1 37 GLU H H -8.123 9.713 -4.997 . . . 1.0 . . . . . . . . . . . . A . 37 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 578 . 1 1 37 GLU HA H -7.550 12.187 -6.382 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 579 . 1 1 37 GLU HB2 H -9.616 10.648 -6.437 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 580 . 1 1 37 GLU HB3 H -10.055 11.355 -4.873 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 581 . 1 1 37 GLU HG2 H -10.174 13.596 -5.976 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 582 . 1 1 37 GLU HG3 H -9.696 12.851 -7.509 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 583 . 1 1 37 GLU N N -7.475 10.463 -5.208 . . . 1.0 . . . . . . . . . . . . A . 37 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 584 . 1 1 37 GLU O O -7.944 13.963 -4.489 . . . 1.0 . . . . . . . . . . . . A . 37 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 585 . 1 1 37 GLU OE1 O -12.147 11.303 -6.397 . . . 1.0 . . . . . . . . . . . . A . 37 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 586 . 1 1 37 GLU OE2 O -12.316 13.189 -7.551 . . . 1.0 . . . . . . . . . . . . A . 37 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 587 . 1 1 38 GLU C C -6.490 13.312 -1.248 . . . 1.0 . . . . . . . . . . . . A . 38 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 588 . 1 1 38 GLU CA C -7.838 12.869 -1.832 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 589 . 1 1 38 GLU CB C -8.546 11.858 -0.920 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 590 . 1 1 38 GLU CD C -9.927 11.351 1.091 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 591 . 1 1 38 GLU CG C -9.247 12.460 0.299 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 592 . 1 1 38 GLU H H -7.476 11.214 -3.074 . . . 1.0 . . . . . . . . . . . . A . 38 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 593 . 1 1 38 GLU HA H -8.480 13.742 -1.957 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 594 . 1 1 38 GLU HB2 H -9.315 11.343 -1.497 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 595 . 1 1 38 GLU HB3 H -7.822 11.123 -0.569 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 596 . 1 1 38 GLU HG2 H -8.521 12.969 0.933 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 597 . 1 1 38 GLU HG3 H -10.005 13.174 -0.022 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 598 . 1 1 38 GLU N N -7.668 12.205 -3.115 . . . 1.0 . . . . . . . . . . . . A . 38 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 599 . 1 1 38 GLU O O -6.385 14.396 -0.676 . . . 1.0 . . . . . . . . . . . . A . 38 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 600 . 1 1 38 GLU OE1 O -10.823 10.705 0.503 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 601 . 1 1 38 GLU OE2 O -9.503 11.132 2.246 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 602 . 1 1 39 HIS C C -3.620 14.099 -1.276 . . . 1.0 . . . . . . . . . . . . A . 39 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 603 . 1 1 39 HIS CA C -4.125 12.718 -0.835 . . . 1.0 . . . . . . . . . . . . A . 39 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 604 . 1 1 39 HIS CB C -3.173 11.637 -1.363 . . . 1.0 . . . . . . . . . . . . A . 39 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 605 . 1 1 39 HIS CD2 C -1.449 11.319 0.548 . . . 1.0 . . . . . . . . . . . . A . 39 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 606 . 1 1 39 HIS CE1 C 0.390 11.603 -0.582 . . . 1.0 . . . . . . . . . . . . A . 39 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 607 . 1 1 39 HIS CG C -1.791 11.628 -0.747 . . . 1.0 . . . . . . . . . . . . A . 39 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 608 . 1 1 39 HIS H H -5.640 11.570 -1.820 . . . 1.0 . . . . . . . . . . . . A . 39 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 609 . 1 1 39 HIS HA H -4.192 12.648 0.250 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 610 . 1 1 39 HIS HB2 H -3.629 10.663 -1.227 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 611 . 1 1 39 HIS HB3 H -3.063 11.777 -2.440 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 612 . 1 1 39 HIS HD1 H -0.540 11.896 -2.451 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 613 . 1 1 39 HIS HD2 H -2.128 11.101 1.352 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 614 . 1 1 39 HIS HE1 H 1.423 11.640 -0.866 . . . 1.0 . . . . . . . . . . . . A . 39 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 615 . 1 1 39 HIS N N -5.464 12.459 -1.362 . . . 1.0 . . . . . . . . . . . . A . 39 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 616 . 1 1 39 HIS ND1 N -0.622 11.779 -1.449 . . . 1.0 . . . . . . . . . . . . A . 39 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 617 . 1 1 39 HIS NE2 N -0.053 11.291 0.647 . . . 1.0 . . . . . . . . . . . . A . 39 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 618 . 1 1 39 HIS O O -3.765 14.437 -2.451 . . . 1.0 . . . . . . . . . . . . A . 39 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 619 . 1 1 40 PRO C C -1.364 16.097 -1.869 . . . 1.0 . . . . . . . . . . . . A . 40 PRO C . . . . . . . . . rr_1aqa 1 . 1 . 620 . 1 1 40 PRO CA C -2.430 16.187 -0.790 . . . 1.0 . . . . . . . . . . . . A . 40 PRO CA . . . . . . . . . rr_1aqa 1 . 1 . 621 . 1 1 40 PRO CB C -1.938 16.848 0.501 . . . 1.0 . . . . . . . . . . . . A . 40 PRO CB . . . . . . . . . rr_1aqa 1 . 1 . 622 . 1 1 40 PRO CD C -2.732 14.648 1.010 . . . 1.0 . . . . . . . . . . . . A . 40 PRO CD . . . . . . . . . rr_1aqa 1 . 1 . 623 . 1 1 40 PRO CG C -1.657 15.656 1.418 . . . 1.0 . . . . . . . . . . . . A . 40 PRO CG . . . . . . . . . rr_1aqa 1 . 1 . 624 . 1 1 40 PRO HA H -3.193 16.776 -1.268 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HA . . . . . . . . . rr_1aqa 1 . 1 . 625 . 1 1 40 PRO HB2 H -1.058 17.473 0.347 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HB2 . . . . . . . . . rr_1aqa 1 . 1 . 626 . 1 1 40 PRO HB3 H -2.749 17.441 0.926 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HB3 . . . . . . . . . rr_1aqa 1 . 1 . 627 . 1 1 40 PRO HD2 H -2.376 13.644 1.223 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HD2 . . . . . . . . . rr_1aqa 1 . 1 . 628 . 1 1 40 PRO HD3 H -3.651 14.841 1.565 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HD3 . . . . . . . . . rr_1aqa 1 . 1 . 629 . 1 1 40 PRO HG2 H -0.671 15.247 1.191 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HG2 . . . . . . . . . rr_1aqa 1 . 1 . 630 . 1 1 40 PRO HG3 H -1.716 15.920 2.475 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HG3 . . . . . . . . . rr_1aqa 1 . 1 . 631 . 1 1 40 PRO N N -2.975 14.892 -0.403 . . . 1.0 . . . . . . . . . . . . A . 40 PRO N . . . . . . . . . rr_1aqa 1 . 1 . 632 . 1 1 40 PRO O O -1.175 17.041 -2.632 . . . 1.0 . . . . . . . . . . . . A . 40 PRO O . . . . . . . . . rr_1aqa 1 . 1 . 633 . 1 1 41 GLY C C -0.391 13.985 -4.237 . . . 1.0 . . . . . . . . . . . . A . 41 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 634 . 1 1 41 GLY CA C 0.238 14.690 -3.030 . . . 1.0 . . . . . . . . . . . . A . 41 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 635 . 1 1 41 GLY H H -0.872 14.224 -1.286 . . . 1.0 . . . . . . . . . . . . A . 41 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 636 . 1 1 41 GLY HA2 H 0.749 15.597 -3.357 . . . 1.0 . . . . . . . . . . . . A . 41 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 637 . 1 1 41 GLY HA3 H 0.947 14.043 -2.549 . . . 1.0 . . . . . . . . . . . . A . 41 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 638 . 1 1 41 GLY N N -0.702 14.951 -1.966 . . . 1.0 . . . . . . . . . . . . A . 41 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 639 . 1 1 41 GLY O O 0.329 13.557 -5.136 . . . 1.0 . . . . . . . . . . . . A . 41 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 640 . 1 1 42 GLY C C -2.042 11.824 -5.651 . . . 1.0 . . . . . . . . . . . . A . 42 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 641 . 1 1 42 GLY CA C -2.471 13.249 -5.340 . . . 1.0 . . . . . . . . . . . . A . 42 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 642 . 1 1 42 GLY H H -2.293 14.221 -3.522 . . . 1.0 . . . . . . . . . . . . A . 42 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 643 . 1 1 42 GLY HA2 H -3.525 13.233 -5.066 . . . 1.0 . . . . . . . . . . . . A . 42 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 644 . 1 1 42 GLY HA3 H -2.358 13.868 -6.223 . . . 1.0 . . . . . . . . . . . . A . 42 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 645 . 1 1 42 GLY N N -1.721 13.846 -4.261 . . . 1.0 . . . . . . . . . . . . A . 42 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 646 . 1 1 42 GLY O O -1.444 11.132 -4.823 . . . 1.0 . . . . . . . . . . . . A . 42 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 647 . 1 1 43 GLU C C -0.829 9.565 -7.422 . . . 1.0 . . . . . . . . . . . . A . 43 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 648 . 1 1 43 GLU CA C -2.279 10.016 -7.282 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 649 . 1 1 43 GLU CB C -3.106 9.704 -8.538 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 650 . 1 1 43 GLU CD C -3.645 10.195 -10.967 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 651 . 1 1 43 GLU CG C -3.052 10.743 -9.669 . . . 1.0 . . . . . . . . . . . . A . 43 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 652 . 1 1 43 GLU H H -2.913 12.050 -7.430 . . . 1.0 . . . . . . . . . . . . A . 43 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 653 . 1 1 43 GLU HA H -2.708 9.428 -6.476 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 654 . 1 1 43 GLU HB2 H -2.755 8.744 -8.927 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 655 . 1 1 43 GLU HB3 H -4.152 9.582 -8.256 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 656 . 1 1 43 GLU HG2 H -3.623 11.628 -9.386 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 657 . 1 1 43 GLU HG3 H -2.025 11.029 -9.885 . . . 1.0 . . . . . . . . . . . . A . 43 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 658 . 1 1 43 GLU N N -2.399 11.398 -6.862 . . . 1.0 . . . . . . . . . . . . A . 43 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 659 . 1 1 43 GLU O O -0.472 8.548 -6.835 . . . 1.0 . . . . . . . . . . . . A . 43 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 660 . 1 1 43 GLU OE1 O -4.141 9.047 -10.937 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 661 . 1 1 43 GLU OE2 O -3.578 10.930 -11.974 . . . 1.0 . . . . . . . . . . . . A . 43 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 662 . 1 1 44 GLU C C 2.068 9.050 -7.626 . . . 1.0 . . . . . . . . . . . . A . 44 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 663 . 1 1 44 GLU CA C 1.328 9.927 -8.640 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 664 . 1 1 44 GLU CB C 2.111 11.214 -8.940 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 665 . 1 1 44 GLU CD C 2.409 13.163 -10.551 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 666 . 1 1 44 GLU CG C 1.565 11.947 -10.176 . . . 1.0 . . . . . . . . . . . . A . 44 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 667 . 1 1 44 GLU H H -0.421 11.116 -8.624 . . . 1.0 . . . . . . . . . . . . A . 44 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 668 . 1 1 44 GLU HA H 1.264 9.345 -9.561 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 669 . 1 1 44 GLU HB2 H 2.071 11.891 -8.083 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 670 . 1 1 44 GLU HB3 H 3.156 10.960 -9.128 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 671 . 1 1 44 GLU HG2 H 1.566 11.270 -11.030 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 672 . 1 1 44 GLU HG3 H 0.548 12.293 -10.002 . . . 1.0 . . . . . . . . . . . . A . 44 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 673 . 1 1 44 GLU N N -0.026 10.284 -8.214 . . . 1.0 . . . . . . . . . . . . A . 44 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 674 . 1 1 44 GLU O O 2.356 7.887 -7.906 . . . 1.0 . . . . . . . . . . . . A . 44 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 675 . 1 1 44 GLU OE1 O 3.281 13.535 -9.736 . . . 1.0 . . . . . . . . . . . . A . 44 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 676 . 1 1 44 GLU OE2 O 2.166 13.696 -11.654 . . . 1.0 . . . . . . . . . . . . A . 44 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 677 . 1 1 45 VAL C C 2.522 7.627 -4.965 . . . 1.0 . . . . . . . . . . . . A . 45 VAL C . . . . . . . . . rr_1aqa 1 . 1 . 678 . 1 1 45 VAL CA C 3.132 8.963 -5.405 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CA . . . . . . . . . rr_1aqa 1 . 1 . 679 . 1 1 45 VAL CB C 3.332 9.926 -4.222 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CB . . . . . . . . . rr_1aqa 1 . 1 . 680 . 1 1 45 VAL CG1 C 3.940 11.256 -4.690 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CG1 . . . . . . . . . rr_1aqa 1 . 1 . 681 . 1 1 45 VAL CG2 C 2.035 10.201 -3.453 . . . 1.0 . . . . . . . . . . . . A . 45 VAL CG2 . . . . . . . . . rr_1aqa 1 . 1 . 682 . 1 1 45 VAL H H 2.018 10.551 -6.289 . . . 1.0 . . . . . . . . . . . . A . 45 VAL H . . . . . . . . . rr_1aqa 1 . 1 . 683 . 1 1 45 VAL HA H 4.118 8.755 -5.822 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HA . . . . . . . . . rr_1aqa 1 . 1 . 684 . 1 1 45 VAL HB H 4.042 9.470 -3.530 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HB . . . . . . . . . rr_1aqa 1 . 1 . 685 . 1 1 45 VAL HG11 H 4.836 11.065 -5.282 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG11 . . . . . . . . . rr_1aqa 1 . 1 . 686 . 1 1 45 VAL HG12 H 3.228 11.826 -5.287 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG12 . . . . . . . . . rr_1aqa 1 . 1 . 687 . 1 1 45 VAL HG13 H 4.214 11.857 -3.824 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG13 . . . . . . . . . rr_1aqa 1 . 1 . 688 . 1 1 45 VAL HG21 H 1.233 10.495 -4.130 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG21 . . . . . . . . . rr_1aqa 1 . 1 . 689 . 1 1 45 VAL HG22 H 1.732 9.320 -2.883 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG22 . . . . . . . . . rr_1aqa 1 . 1 . 690 . 1 1 45 VAL HG23 H 2.223 11.014 -2.759 . . . 1.0 . . . . . . . . . . . . A . 45 VAL HG23 . . . . . . . . . rr_1aqa 1 . 1 . 691 . 1 1 45 VAL N N 2.340 9.608 -6.445 . . . 1.0 . . . . . . . . . . . . A . 45 VAL N . . . . . . . . . rr_1aqa 1 . 1 . 692 . 1 1 45 VAL O O 3.238 6.668 -4.690 . . . 1.0 . . . . . . . . . . . . A . 45 VAL O . . . . . . . . . rr_1aqa 1 . 1 . 693 . 1 1 46 LEU C C 0.656 5.372 -5.717 . . . 1.0 . . . . . . . . . . . . A . 46 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 694 . 1 1 46 LEU CA C 0.488 6.330 -4.552 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 695 . 1 1 46 LEU CB C -1.002 6.614 -4.275 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 696 . 1 1 46 LEU CD1 C -2.629 8.251 -3.244 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 697 . 1 1 46 LEU CD2 C -0.998 7.071 -1.806 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 698 . 1 1 46 LEU CG C -1.218 7.678 -3.184 . . . 1.0 . . . . . . . . . . . . A . 46 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 699 . 1 1 46 LEU H H 0.643 8.327 -5.259 . . . 1.0 . . . . . . . . . . . . A . 46 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 700 . 1 1 46 LEU HA H 0.939 5.854 -3.687 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 701 . 1 1 46 LEU HB2 H -1.493 6.934 -5.193 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 702 . 1 1 46 LEU HB3 H -1.482 5.685 -3.968 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 703 . 1 1 46 LEU HD11 H -3.366 7.449 -3.281 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 704 . 1 1 46 LEU HD12 H -2.814 8.872 -2.371 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 705 . 1 1 46 LEU HD13 H -2.694 8.875 -4.132 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 706 . 1 1 46 LEU HD21 H -0.002 6.645 -1.798 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 707 . 1 1 46 LEU HD22 H -1.072 7.847 -1.044 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 708 . 1 1 46 LEU HD23 H -1.732 6.291 -1.608 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 709 . 1 1 46 LEU HG H -0.533 8.515 -3.313 . . . 1.0 . . . . . . . . . . . . A . 46 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 710 . 1 1 46 LEU N N 1.191 7.557 -4.889 . . . 1.0 . . . . . . . . . . . . A . 46 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 711 . 1 1 46 LEU O O 1.158 4.260 -5.564 . . . 1.0 . . . . . . . . . . . . A . 46 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 712 . 1 1 47 ARG C C 1.478 4.333 -8.360 . . . 1.0 . . . . . . . . . . . . A . 47 ARG C . . . . . . . . . rr_1aqa 1 . 1 . 713 . 1 1 47 ARG CA C 0.156 5.057 -8.104 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CA . . . . . . . . . rr_1aqa 1 . 1 . 714 . 1 1 47 ARG CB C -0.226 5.982 -9.268 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CB . . . . . . . . . rr_1aqa 1 . 1 . 715 . 1 1 47 ARG CD C -0.811 6.065 -11.715 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CD . . . . . . . . . rr_1aqa 1 . 1 . 716 . 1 1 47 ARG CG C -0.742 5.181 -10.466 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CG . . . . . . . . . rr_1aqa 1 . 1 . 717 . 1 1 47 ARG CZ C -1.017 5.351 -14.126 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CZ . . . . . . . . . rr_1aqa 1 . 1 . 718 . 1 1 47 ARG H H -0.065 6.803 -6.925 . . . 1.0 . . . . . . . . . . . . A . 47 ARG H . . . . . . . . . rr_1aqa 1 . 1 . 719 . 1 1 47 ARG HA H -0.638 4.333 -7.927 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HA . . . . . . . . . rr_1aqa 1 . 1 . 720 . 1 1 47 ARG HB2 H -1.018 6.663 -8.953 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HB2 . . . . . . . . . rr_1aqa 1 . 1 . 721 . 1 1 47 ARG HB3 H 0.642 6.575 -9.557 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HB3 . . . . . . . . . rr_1aqa 1 . 1 . 722 . 1 1 47 ARG HD2 H -1.440 6.936 -11.510 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HD2 . . . . . . . . . rr_1aqa 1 . 1 . 723 . 1 1 47 ARG HD3 H 0.203 6.402 -11.930 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HD3 . . . . . . . . . rr_1aqa 1 . 1 . 724 . 1 1 47 ARG HE H -2.173 4.682 -12.641 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HE . . . . . . . . . rr_1aqa 1 . 1 . 725 . 1 1 47 ARG HG2 H -0.082 4.335 -10.667 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HG2 . . . . . . . . . rr_1aqa 1 . 1 . 726 . 1 1 47 ARG HG3 H -1.736 4.804 -10.224 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HG3 . . . . . . . . . rr_1aqa 1 . 1 . 727 . 1 1 47 ARG HH11 H 0.331 6.853 -13.893 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH11 . . . . . . . . . rr_1aqa 1 . 1 . 728 . 1 1 47 ARG HH12 H 0.236 6.216 -15.507 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH12 . . . . . . . . . rr_1aqa 1 . 1 . 729 . 1 1 47 ARG HH21 H -2.343 3.916 -14.569 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH21 . . . . . . . . . rr_1aqa 1 . 1 . 730 . 1 1 47 ARG HH22 H -1.407 4.466 -15.963 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH22 . . . . . . . . . rr_1aqa 1 . 1 . 731 . 1 1 47 ARG N N 0.236 5.836 -6.892 . . . 1.0 . . . . . . . . . . . . A . 47 ARG N . . . . . . . . . rr_1aqa 1 . 1 . 732 . 1 1 47 ARG NE N -1.394 5.316 -12.841 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NE . . . . . . . . . rr_1aqa 1 . 1 . 733 . 1 1 47 ARG NH1 N -0.064 6.192 -14.545 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NH1 . . . . . . . . . rr_1aqa 1 . 1 . 734 . 1 1 47 ARG NH2 N -1.616 4.520 -14.981 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NH2 . . . . . . . . . rr_1aqa 1 . 1 . 735 . 1 1 47 ARG O O 1.503 3.116 -8.540 . . . 1.0 . . . . . . . . . . . . A . 47 ARG O . . . . . . . . . rr_1aqa 1 . 1 . 736 . 1 1 48 GLU C C 4.371 3.473 -7.674 . . . 1.0 . . . . . . . . . . . . A . 48 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 737 . 1 1 48 GLU CA C 3.896 4.535 -8.663 . . . 1.0 . . . . . . . . . . . . A . 48 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 738 . 1 1 48 GLU CB C 4.909 5.672 -8.850 . . . 1.0 . . . . . . . . . . . . A . 48 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 739 . 1 1 48 GLU CD C 6.305 7.491 -7.752 . . . 1.0 . . . . . . . . . . . . A . 48 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 740 . 1 1 48 GLU CG C 5.336 6.334 -7.532 . . . 1.0 . . . . . . . . . . . . A . 48 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 741 . 1 1 48 GLU H H 2.518 6.070 -8.134 . . . 1.0 . . . . . . . . . . . . A . 48 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 742 . 1 1 48 GLU HA H 3.816 4.003 -9.608 . . . 1.0 . . . . . . . . . . . . A . 48 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 743 . 1 1 48 GLU HB2 H 5.802 5.269 -9.330 . . . 1.0 . . . . . . . . . . . . A . 48 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 744 . 1 1 48 GLU HB3 H 4.479 6.440 -9.499 . . . 1.0 . . . . . . . . . . . . A . 48 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 745 . 1 1 48 GLU HG2 H 4.461 6.712 -7.011 . . . 1.0 . . . . . . . . . . . . A . 48 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 746 . 1 1 48 GLU HG3 H 5.838 5.611 -6.889 . . . 1.0 . . . . . . . . . . . . A . 48 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 747 . 1 1 48 GLU N N 2.586 5.077 -8.344 . . . 1.0 . . . . . . . . . . . . A . 48 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 748 . 1 1 48 GLU O O 5.273 2.708 -8.016 . . . 1.0 . . . . . . . . . . . . A . 48 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 749 . 1 1 48 GLU OE1 O 6.855 7.573 -8.872 . . . 1.0 . . . . . . . . . . . . A . 48 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 750 . 1 1 48 GLU OE2 O 6.488 8.264 -6.788 . . . 1.0 . . . . . . . . . . . . A . 48 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 751 . 1 1 49 GLN C C 3.005 1.379 -5.305 . . . 1.0 . . . . . . . . . . . . A . 49 GLN C . . . . . . . . . rr_1aqa 1 . 1 . 752 . 1 1 49 GLN CA C 4.135 2.396 -5.489 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CA . . . . . . . . . rr_1aqa 1 . 1 . 753 . 1 1 49 GLN CB C 4.508 3.101 -4.172 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CB . . . . . . . . . rr_1aqa 1 . 1 . 754 . 1 1 49 GLN CD C 6.997 2.598 -4.165 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CD . . . . . . . . . rr_1aqa 1 . 1 . 755 . 1 1 49 GLN CG C 5.660 2.383 -3.463 . . . 1.0 . . . . . . . . . . . . A . 49 GLN CG . . . . . . . . . rr_1aqa 1 . 1 . 756 . 1 1 49 GLN H H 2.943 3.957 -6.282 . . . 1.0 . . . . . . . . . . . . A . 49 GLN H . . . . . . . . . rr_1aqa 1 . 1 . 757 . 1 1 49 GLN HA H 4.990 1.837 -5.861 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HA . . . . . . . . . rr_1aqa 1 . 1 . 758 . 1 1 49 GLN HB2 H 4.820 4.132 -4.353 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HB2 . . . . . . . . . rr_1aqa 1 . 1 . 759 . 1 1 49 GLN HB3 H 3.642 3.133 -3.510 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HB3 . . . . . . . . . rr_1aqa 1 . 1 . 760 . 1 1 49 GLN HE21 H 7.459 0.601 -4.171 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HE21 . . . . . . . . . rr_1aqa 1 . 1 . 761 . 1 1 49 GLN HE22 H 8.626 1.684 -4.902 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HE22 . . . . . . . . . rr_1aqa 1 . 1 . 762 . 1 1 49 GLN HG2 H 5.743 2.807 -2.464 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HG2 . . . . . . . . . rr_1aqa 1 . 1 . 763 . 1 1 49 GLN HG3 H 5.442 1.318 -3.389 . . . 1.0 . . . . . . . . . . . . A . 49 GLN HG3 . . . . . . . . . rr_1aqa 1 . 1 . 764 . 1 1 49 GLN N N 3.767 3.393 -6.481 . . . 1.0 . . . . . . . . . . . . A . 49 GLN N . . . . . . . . . rr_1aqa 1 . 1 . 765 . 1 1 49 GLN NE2 N 7.745 1.533 -4.434 . . . 1.0 . . . . . . . . . . . . A . 49 GLN NE2 . . . . . . . . . rr_1aqa 1 . 1 . 766 . 1 1 49 GLN O O 3.085 0.506 -4.439 . . . 1.0 . . . . . . . . . . . . A . 49 GLN O . . . . . . . . . rr_1aqa 1 . 1 . 767 . 1 1 49 GLN OE1 O 7.373 3.730 -4.447 . . . 1.0 . . . . . . . . . . . . A . 49 GLN OE1 . . . . . . . . . rr_1aqa 1 . 1 . 768 . 1 1 50 ALA C C 1.017 -0.713 -6.570 . . . 1.0 . . . . . . . . . . . . A . 50 ALA C . . . . . . . . . rr_1aqa 1 . 1 . 769 . 1 1 50 ALA CA C 0.768 0.664 -5.963 . . . 1.0 . . . . . . . . . . . . A . 50 ALA CA . . . . . . . . . rr_1aqa 1 . 1 . 770 . 1 1 50 ALA CB C -0.412 1.385 -6.594 . . . 1.0 . . . . . . . . . . . . A . 50 ALA CB . . . . . . . . . rr_1aqa 1 . 1 . 771 . 1 1 50 ALA H H 1.929 2.187 -6.843 . . . 1.0 . . . . . . . . . . . . A . 50 ALA H . . . . . . . . . rr_1aqa 1 . 1 . 772 . 1 1 50 ALA HA H 0.554 0.548 -4.901 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HA . . . . . . . . . rr_1aqa 1 . 1 . 773 . 1 1 50 ALA HB1 H -0.464 2.399 -6.197 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB1 . . . . . . . . . rr_1aqa 1 . 1 . 774 . 1 1 50 ALA HB2 H -0.271 1.435 -7.673 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB2 . . . . . . . . . rr_1aqa 1 . 1 . 775 . 1 1 50 ALA HB3 H -1.327 0.847 -6.349 . . . 1.0 . . . . . . . . . . . . A . 50 ALA HB3 . . . . . . . . . rr_1aqa 1 . 1 . 776 . 1 1 50 ALA N N 1.944 1.490 -6.107 . . . 1.0 . . . . . . . . . . . . A . 50 ALA N . . . . . . . . . rr_1aqa 1 . 1 . 777 . 1 1 50 ALA O O 1.852 -0.876 -7.460 . . . 1.0 . . . . . . . . . . . . A . 50 ALA O . . . . . . . . . rr_1aqa 1 . 1 . 778 . 1 1 51 GLY C C 2.187 -3.317 -5.927 . . . 1.0 . . . . . . . . . . . . A . 51 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 779 . 1 1 51 GLY CA C 0.695 -3.116 -6.198 . . . 1.0 . . . . . . . . . . . . A . 51 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 780 . 1 1 51 GLY H H -0.380 -1.502 -5.347 . . . 1.0 . . . . . . . . . . . . A . 51 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 781 . 1 1 51 GLY HA2 H 0.114 -3.678 -5.469 . . . 1.0 . . . . . . . . . . . . A . 51 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 782 . 1 1 51 GLY HA3 H 0.456 -3.483 -7.197 . . . 1.0 . . . . . . . . . . . . A . 51 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 783 . 1 1 51 GLY N N 0.330 -1.721 -6.036 . . . 1.0 . . . . . . . . . . . . A . 51 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 784 . 1 1 51 GLY O O 2.860 -4.030 -6.669 . . . 1.0 . . . . . . . . . . . . A . 51 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 785 . 1 1 52 GLY C C 4.324 -2.677 -3.026 . . . 1.0 . . . . . . . . . . . . A . 52 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 786 . 1 1 52 GLY CA C 4.110 -2.683 -4.536 . . . 1.0 . . . . . . . . . . . . A . 52 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 787 . 1 1 52 GLY H H 2.108 -2.090 -4.301 . . . 1.0 . . . . . . . . . . . . A . 52 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 788 . 1 1 52 GLY HA2 H 4.603 -3.565 -4.948 . . . 1.0 . . . . . . . . . . . . A . 52 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 789 . 1 1 52 GLY HA3 H 4.572 -1.792 -4.964 . . . 1.0 . . . . . . . . . . . . A . 52 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 790 . 1 1 52 GLY N N 2.699 -2.681 -4.868 . . . 1.0 . . . . . . . . . . . . A . 52 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 791 . 1 1 52 GLY O O 3.395 -2.471 -2.234 . . . 1.0 . . . . . . . . . . . . A . 52 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 792 . 1 1 53 ASP C C 6.267 -1.540 -0.736 . . . 1.0 . . . . . . . . . . . . A . 53 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 793 . 1 1 53 ASP CA C 6.109 -2.949 -1.291 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 794 . 1 1 53 ASP CB C 7.434 -3.738 -1.311 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 795 . 1 1 53 ASP CG C 8.487 -3.201 -2.285 . . . 1.0 . . . . . . . . . . . . A . 53 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 796 . 1 1 53 ASP H H 6.322 -2.910 -3.347 . . . 1.0 . . . . . . . . . . . . A . 53 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 797 . 1 1 53 ASP HA H 5.380 -3.440 -0.648 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 798 . 1 1 53 ASP HB2 H 7.868 -3.730 -0.311 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 799 . 1 1 53 ASP HB3 H 7.230 -4.768 -1.597 . . . 1.0 . . . . . . . . . . . . A . 53 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 800 . 1 1 53 ASP N N 5.582 -2.894 -2.643 . . . 1.0 . . . . . . . . . . . . A . 53 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 801 . 1 1 53 ASP O O 7.324 -1.121 -0.268 . . . 1.0 . . . . . . . . . . . . A . 53 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 802 . 1 1 53 ASP OD1 O 8.075 -2.647 -3.332 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 803 . 1 1 53 ASP OD2 O 9.684 -3.427 -2.007 . . . 1.0 . . . . . . . . . . . . A . 53 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 804 . 1 1 54 ALA C C 5.481 0.905 1.005 . . . 1.0 . . . . . . . . . . . . A . 54 ALA C . . . . . . . . . rr_1aqa 1 . 1 . 805 . 1 1 54 ALA CA C 5.141 0.603 -0.449 . . . 1.0 . . . . . . . . . . . . A . 54 ALA CA . . . . . . . . . rr_1aqa 1 . 1 . 806 . 1 1 54 ALA CB C 3.795 1.192 -0.849 . . . 1.0 . . . . . . . . . . . . A . 54 ALA CB . . . . . . . . . rr_1aqa 1 . 1 . 807 . 1 1 54 ALA H H 4.316 -1.237 -1.127 . . . 1.0 . . . . . . . . . . . . A . 54 ALA H . . . . . . . . . rr_1aqa 1 . 1 . 808 . 1 1 54 ALA HA H 5.918 1.077 -1.045 . . . 1.0 . . . . . . . . . . . . A . 54 ALA HA . . . . . . . . . rr_1aqa 1 . 1 . 809 . 1 1 54 ALA HB1 H 3.002 0.652 -0.342 . . . 1.0 . . . . . . . . . . . . A . 54 ALA HB1 . . . . . . . . . rr_1aqa 1 . 1 . 810 . 1 1 54 ALA HB2 H 3.771 2.248 -0.579 . . . 1.0 . . . . . . . . . . . . A . 54 ALA HB2 . . . . . . . . . rr_1aqa 1 . 1 . 811 . 1 1 54 ALA HB3 H 3.653 1.085 -1.921 . . . 1.0 . . . . . . . . . . . . A . 54 ALA HB3 . . . . . . . . . rr_1aqa 1 . 1 . 812 . 1 1 54 ALA N N 5.157 -0.807 -0.760 . . . 1.0 . . . . . . . . . . . . A . 54 ALA N . . . . . . . . . rr_1aqa 1 . 1 . 813 . 1 1 54 ALA O O 5.837 2.046 1.270 . . . 1.0 . . . . . . . . . . . . A . 54 ALA O . . . . . . . . . rr_1aqa 1 . 1 . 814 . 1 1 55 THR C C 6.885 1.050 3.521 . . . 1.0 . . . . . . . . . . . . A . 55 THR C . . . . . . . . . rr_1aqa 1 . 1 . 815 . 1 1 55 THR CA C 5.868 -0.069 3.301 . . . 1.0 . . . . . . . . . . . . A . 55 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 816 . 1 1 55 THR CB C 6.464 -1.452 3.628 . . . 1.0 . . . . . . . . . . . . A . 55 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 817 . 1 1 55 THR CG2 C 7.174 -1.482 4.986 . . . 1.0 . . . . . . . . . . . . A . 55 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 818 . 1 1 55 THR H H 4.977 -0.945 1.584 . . . 1.0 . . . . . . . . . . . . A . 55 THR H . . . . . . . . . rr_1aqa 1 . 1 . 819 . 1 1 55 THR HA H 5.044 0.064 4.000 . . . 1.0 . . . . . . . . . . . . A . 55 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 820 . 1 1 55 THR HB H 7.182 -1.744 2.858 . . . 1.0 . . . . . . . . . . . . A . 55 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 821 . 1 1 55 THR HG1 H 4.959 -2.412 2.820 . . . 1.0 . . . . . . . . . . . . A . 55 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 822 . 1 1 55 THR HG21 H 6.540 -1.052 5.760 . . . 1.0 . . . . . . . . . . . . A . 55 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 823 . 1 1 55 THR HG22 H 7.418 -2.513 5.246 . . . 1.0 . . . . . . . . . . . . A . 55 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 824 . 1 1 55 THR HG23 H 8.105 -0.915 4.943 . . . 1.0 . . . . . . . . . . . . A . 55 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 825 . 1 1 55 THR N N 5.389 -0.082 1.913 . . . 1.0 . . . . . . . . . . . . A . 55 THR N . . . . . . . . . rr_1aqa 1 . 1 . 826 . 1 1 55 THR O O 6.679 1.972 4.309 . . . 1.0 . . . . . . . . . . . . A . 55 THR O . . . . . . . . . rr_1aqa 1 . 1 . 827 . 1 1 55 THR OG1 O 5.419 -2.407 3.670 . . . 1.0 . . . . . . . . . . . . A . 55 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 828 . 1 1 56 GLU C C 8.903 3.182 2.391 . . . 1.0 . . . . . . . . . . . . A . 56 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 829 . 1 1 56 GLU CA C 9.153 1.766 2.915 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 830 . 1 1 56 GLU CB C 10.285 1.046 2.181 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 831 . 1 1 56 GLU CD C 11.466 -1.228 1.959 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 832 . 1 1 56 GLU CG C 10.239 -0.470 2.462 . . . 1.0 . . . . . . . . . . . . A . 56 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 833 . 1 1 56 GLU H H 7.969 0.250 2.040 . . . 1.0 . . . . . . . . . . . . A . 56 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 834 . 1 1 56 GLU HA H 9.406 1.819 3.976 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 835 . 1 1 56 GLU HB2 H 10.147 1.206 1.117 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 836 . 1 1 56 GLU HB3 H 11.247 1.461 2.488 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 837 . 1 1 56 GLU HG2 H 10.133 -0.616 3.538 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 838 . 1 1 56 GLU HG3 H 9.389 -0.926 1.952 . . . 1.0 . . . . . . . . . . . . A . 56 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 839 . 1 1 56 GLU N N 7.965 0.962 2.758 . . . 1.0 . . . . . . . . . . . . A . 56 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 840 . 1 1 56 GLU O O 8.929 4.137 3.162 . . . 1.0 . . . . . . . . . . . . A . 56 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 841 . 1 1 56 GLU OE1 O 12.273 -0.609 1.232 . . . 1.0 . . . . . . . . . . . . A . 56 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 842 . 1 1 56 GLU OE2 O 11.555 -2.428 2.299 . . . 1.0 . . . . . . . . . . . . A . 56 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 843 . 1 1 57 ASN C C 7.184 5.361 1.025 . . . 1.0 . . . . . . . . . . . . A . 57 ASN C . . . . . . . . . rr_1aqa 1 . 1 . 844 . 1 1 57 ASN CA C 8.407 4.627 0.460 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CA . . . . . . . . . rr_1aqa 1 . 1 . 845 . 1 1 57 ASN CB C 8.338 4.508 -1.071 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CB . . . . . . . . . rr_1aqa 1 . 1 . 846 . 1 1 57 ASN CG C 8.546 5.860 -1.765 . . . 1.0 . . . . . . . . . . . . A . 57 ASN CG . . . . . . . . . rr_1aqa 1 . 1 . 847 . 1 1 57 ASN H H 8.531 2.487 0.527 . . . 1.0 . . . . . . . . . . . . A . 57 ASN H . . . . . . . . . rr_1aqa 1 . 1 . 848 . 1 1 57 ASN HA H 9.283 5.225 0.700 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HA . . . . . . . . . rr_1aqa 1 . 1 . 849 . 1 1 57 ASN HB2 H 9.119 3.830 -1.418 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB2 . . . . . . . . . rr_1aqa 1 . 1 . 850 . 1 1 57 ASN HB3 H 7.367 4.098 -1.345 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HB3 . . . . . . . . . rr_1aqa 1 . 1 . 851 . 1 1 57 ASN HD21 H 7.618 5.242 -3.487 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD21 . . . . . . . . . rr_1aqa 1 . 1 . 852 . 1 1 57 ASN HD22 H 8.184 6.897 -3.459 . . . 1.0 . . . . . . . . . . . . A . 57 ASN HD22 . . . . . . . . . rr_1aqa 1 . 1 . 853 . 1 1 57 ASN N N 8.611 3.320 1.090 . . . 1.0 . . . . . . . . . . . . A . 57 ASN N . . . . . . . . . rr_1aqa 1 . 1 . 854 . 1 1 57 ASN ND2 N 8.054 6.014 -2.990 . . . 1.0 . . . . . . . . . . . . A . 57 ASN ND2 . . . . . . . . . rr_1aqa 1 . 1 . 855 . 1 1 57 ASN O O 6.997 6.544 0.778 . . . 1.0 . . . . . . . . . . . . A . 57 ASN O . . . . . . . . . rr_1aqa 1 . 1 . 856 . 1 1 57 ASN OD1 O 9.180 6.761 -1.226 . . . 1.0 . . . . . . . . . . . . A . 57 ASN OD1 . . . . . . . . . rr_1aqa 1 . 1 . 857 . 1 1 58 PHE C C 6.048 5.785 3.921 . . . 1.0 . . . . . . . . . . . . A . 58 PHE C . . . . . . . . . rr_1aqa 1 . 1 . 858 . 1 1 58 PHE CA C 5.356 5.233 2.677 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CA . . . . . . . . . rr_1aqa 1 . 1 . 859 . 1 1 58 PHE CB C 4.315 4.159 3.013 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CB . . . . . . . . . rr_1aqa 1 . 1 . 860 . 1 1 58 PHE CD1 C 2.452 5.292 4.324 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 861 . 1 1 58 PHE CD2 C 3.654 3.430 5.334 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CD2 . . . . . . . . . rr_1aqa 1 . 1 . 862 . 1 1 58 PHE CE1 C 1.565 5.304 5.416 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CE1 . . . . . . . . . rr_1aqa 1 . 1 . 863 . 1 1 58 PHE CE2 C 2.756 3.426 6.411 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CE2 . . . . . . . . . rr_1aqa 1 . 1 . 864 . 1 1 58 PHE CG C 3.487 4.340 4.271 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CG . . . . . . . . . rr_1aqa 1 . 1 . 865 . 1 1 58 PHE CZ C 1.687 4.334 6.429 . . . 1.0 . . . . . . . . . . . . A . 58 PHE CZ . . . . . . . . . rr_1aqa 1 . 1 . 866 . 1 1 58 PHE H H 6.489 3.657 1.839 . . . 1.0 . . . . . . . . . . . . A . 58 PHE H . . . . . . . . . rr_1aqa 1 . 1 . 867 . 1 1 58 PHE HA H 4.847 6.062 2.184 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HA . . . . . . . . . rr_1aqa 1 . 1 . 868 . 1 1 58 PHE HB2 H 3.649 4.056 2.158 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HB2 . . . . . . . . . rr_1aqa 1 . 1 . 869 . 1 1 58 PHE HB3 H 4.845 3.220 3.131 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HB3 . . . . . . . . . rr_1aqa 1 . 1 . 870 . 1 1 58 PHE HD1 H 2.292 5.974 3.501 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HD1 . . . . . . . . . rr_1aqa 1 . 1 . 871 . 1 1 58 PHE HD2 H 4.461 2.710 5.326 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HD2 . . . . . . . . . rr_1aqa 1 . 1 . 872 . 1 1 58 PHE HE1 H 0.761 6.027 5.454 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HE1 . . . . . . . . . rr_1aqa 1 . 1 . 873 . 1 1 58 PHE HE2 H 2.877 2.706 7.208 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HE2 . . . . . . . . . rr_1aqa 1 . 1 . 874 . 1 1 58 PHE HZ H 0.940 4.248 7.197 . . . 1.0 . . . . . . . . . . . . A . 58 PHE HZ . . . . . . . . . rr_1aqa 1 . 1 . 875 . 1 1 58 PHE N N 6.345 4.658 1.787 . . . 1.0 . . . . . . . . . . . . A . 58 PHE N . . . . . . . . . rr_1aqa 1 . 1 . 876 . 1 1 58 PHE O O 6.080 7.003 4.104 . . . 1.0 . . . . . . . . . . . . A . 58 PHE O . . . . . . . . . rr_1aqa 1 . 1 . 877 . 1 1 59 GLU C C 8.133 6.250 6.225 . . . 1.0 . . . . . . . . . . . . A . 59 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 878 . 1 1 59 GLU CA C 6.822 5.463 6.162 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 879 . 1 1 59 GLU CB C 6.560 4.447 7.279 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 880 . 1 1 59 GLU CD C 6.862 2.245 8.426 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 881 . 1 1 59 GLU CG C 7.462 3.218 7.413 . . . 1.0 . . . . . . . . . . . . A . 59 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 882 . 1 1 59 GLU H H 6.701 3.947 4.602 . . . 1.0 . . . . . . . . . . . . A . 59 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 883 . 1 1 59 GLU HA H 6.055 6.213 6.372 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 884 . 1 1 59 GLU HB2 H 6.584 4.981 8.228 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 885 . 1 1 59 GLU HB3 H 5.548 4.077 7.131 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 886 . 1 1 59 GLU HG2 H 7.562 2.714 6.456 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 887 . 1 1 59 GLU HG3 H 8.454 3.520 7.748 . . . 1.0 . . . . . . . . . . . . A . 59 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 888 . 1 1 59 GLU N N 6.547 4.934 4.825 . . . 1.0 . . . . . . . . . . . . A . 59 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 889 . 1 1 59 GLU O O 8.269 7.158 7.043 . . . 1.0 . . . . . . . . . . . . A . 59 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 890 . 1 1 59 GLU OE1 O 5.947 2.654 9.181 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 891 . 1 1 59 GLU OE2 O 7.315 1.085 8.485 . . . 1.0 . . . . . . . . . . . . A . 59 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 892 . 1 1 60 ASP C C 10.073 8.085 4.467 . . . 1.0 . . . . . . . . . . . . A . 60 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 893 . 1 1 60 ASP CA C 10.293 6.732 5.152 . . . 1.0 . . . . . . . . . . . . A . 60 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 894 . 1 1 60 ASP CB C 11.295 5.887 4.359 . . . 1.0 . . . . . . . . . . . . A . 60 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 895 . 1 1 60 ASP CG C 12.710 6.454 4.397 . . . 1.0 . . . . . . . . . . . . A . 60 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 896 . 1 1 60 ASP H H 8.877 5.240 4.625 . . . 1.0 . . . . . . . . . . . . A . 60 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 897 . 1 1 60 ASP HA H 10.713 6.914 6.143 . . . 1.0 . . . . . . . . . . . . A . 60 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 898 . 1 1 60 ASP HB2 H 11.325 4.890 4.788 . . . 1.0 . . . . . . . . . . . . A . 60 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 899 . 1 1 60 ASP HB3 H 10.964 5.824 3.322 . . . 1.0 . . . . . . . . . . . . A . 60 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 900 . 1 1 60 ASP N N 9.055 5.979 5.298 . . . 1.0 . . . . . . . . . . . . A . 60 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 901 . 1 1 60 ASP O O 11.001 8.885 4.386 . . . 1.0 . . . . . . . . . . . . A . 60 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 902 . 1 1 60 ASP OD1 O 13.231 6.600 5.524 . . . 1.0 . . . . . . . . . . . . A . 60 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 903 . 1 1 60 ASP OD2 O 13.261 6.685 3.299 . . . 1.0 . . . . . . . . . . . . A . 60 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 904 . 1 1 61 VAL C C 8.608 10.875 4.093 . . . 1.0 . . . . . . . . . . . . A . 61 VAL C . . . . . . . . . rr_1aqa 1 . 1 . 905 . 1 1 61 VAL CA C 8.657 9.622 3.204 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CA . . . . . . . . . rr_1aqa 1 . 1 . 906 . 1 1 61 VAL CB C 7.428 9.431 2.285 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CB . . . . . . . . . rr_1aqa 1 . 1 . 907 . 1 1 61 VAL CG1 C 6.144 10.136 2.751 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CG1 . . . . . . . . . rr_1aqa 1 . 1 . 908 . 1 1 61 VAL CG2 C 7.793 9.758 0.822 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CG2 . . . . . . . . . rr_1aqa 1 . 1 . 909 . 1 1 61 VAL H H 8.029 7.860 4.212 . . . 1.0 . . . . . . . . . . . . A . 61 VAL H . . . . . . . . . rr_1aqa 1 . 1 . 910 . 1 1 61 VAL HA H 9.527 9.728 2.552 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HA . . . . . . . . . rr_1aqa 1 . 1 . 911 . 1 1 61 VAL HB H 7.199 8.369 2.325 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HB . . . . . . . . . rr_1aqa 1 . 1 . 912 . 1 1 61 VAL HG11 H 5.996 9.958 3.814 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG11 . . . . . . . . . rr_1aqa 1 . 1 . 913 . 1 1 61 VAL HG12 H 6.178 11.210 2.567 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG12 . . . . . . . . . rr_1aqa 1 . 1 . 914 . 1 1 61 VAL HG13 H 5.297 9.727 2.203 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG13 . . . . . . . . . rr_1aqa 1 . 1 . 915 . 1 1 61 VAL HG21 H 7.944 10.791 1.134 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG21 . . . . . . . . . rr_1aqa 1 . 1 . 916 . 1 1 61 VAL HG22 H 6.913 9.185 0.527 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG22 . . . . . . . . . rr_1aqa 1 . 1 . 917 . 1 1 61 VAL HG23 H 7.280 10.342 0.066 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG23 . . . . . . . . . rr_1aqa 1 . 1 . 918 . 1 1 61 VAL N N 8.855 8.415 4.006 . . . 1.0 . . . . . . . . . . . . A . 61 VAL N . . . . . . . . . rr_1aqa 1 . 1 . 919 . 1 1 61 VAL O O 8.307 11.970 3.625 . . . 1.0 . . . . . . . . . . . . A . 61 VAL O . . . . . . . . . rr_1aqa 1 . 1 . 920 . 1 1 62 GLY C C 7.229 11.962 6.677 . . . 1.0 . . . . . . . . . . . . A . 62 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 921 . 1 1 62 GLY CA C 8.713 11.760 6.379 . . . 1.0 . . . . . . . . . . . . A . 62 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 922 . 1 1 62 GLY H H 9.230 9.816 5.702 . . . 1.0 . . . . . . . . . . . . A . 62 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 923 . 1 1 62 GLY HA2 H 9.221 11.468 7.298 . . . 1.0 . . . . . . . . . . . . A . 62 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 924 . 1 1 62 GLY HA3 H 9.146 12.696 6.021 . . . 1.0 . . . . . . . . . . . . A . 62 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 925 . 1 1 62 GLY N N 8.894 10.716 5.389 . . . 1.0 . . . . . . . . . . . . A . 62 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 926 . 1 1 62 GLY O O 6.806 13.079 6.965 . . . 1.0 . . . . . . . . . . . . A . 62 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 927 . 1 1 63 HIS C C 4.902 11.305 8.485 . . . 1.0 . . . . . . . . . . . . A . 63 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 928 . 1 1 63 HIS CA C 5.030 10.968 6.998 . . . 1.0 . . . . . . . . . . . . A . 63 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 929 . 1 1 63 HIS CB C 4.288 9.656 6.724 . . . 1.0 . . . . . . . . . . . . A . 63 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 930 . 1 1 63 HIS CD2 C 2.693 10.415 4.816 . . . 1.0 . . . . . . . . . . . . A . 63 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 931 . 1 1 63 HIS CE1 C 3.044 8.760 3.435 . . . 1.0 . . . . . . . . . . . . A . 63 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 932 . 1 1 63 HIS CG C 3.625 9.567 5.373 . . . 1.0 . . . . . . . . . . . . A . 63 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 933 . 1 1 63 HIS H H 6.831 9.985 6.406 . . . 1.0 . . . . . . . . . . . . A . 63 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 934 . 1 1 63 HIS HA H 4.589 11.740 6.375 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 935 . 1 1 63 HIS HB2 H 4.977 8.819 6.849 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 936 . 1 1 63 HIS HB3 H 3.504 9.530 7.468 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 937 . 1 1 63 HIS HD1 H 4.514 7.802 4.580 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 938 . 1 1 63 HIS HD2 H 2.316 11.327 5.255 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 939 . 1 1 63 HIS HE1 H 3.069 8.097 2.591 . . . 1.0 . . . . . . . . . . . . A . 63 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 940 . 1 1 63 HIS N N 6.434 10.885 6.629 . . . 1.0 . . . . . . . . . . . . A . 63 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 941 . 1 1 63 HIS ND1 N 3.819 8.535 4.499 . . . 1.0 . . . . . . . . . . . . A . 63 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 942 . 1 1 63 HIS NE2 N 2.324 9.894 3.566 . . . 1.0 . . . . . . . . . . . . A . 63 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 943 . 1 1 63 HIS O O 5.595 10.716 9.315 . . . 1.0 . . . . . . . . . . . . A . 63 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 944 . 1 1 64 SER C C 2.851 11.154 10.719 . . . 1.0 . . . . . . . . . . . . A . 64 SER C . . . . . . . . . rr_1aqa 1 . 1 . 945 . 1 1 64 SER CA C 3.590 12.398 10.225 . . . 1.0 . . . . . . . . . . . . A . 64 SER CA . . . . . . . . . rr_1aqa 1 . 1 . 946 . 1 1 64 SER CB C 2.710 13.647 10.333 . . . 1.0 . . . . . . . . . . . . A . 64 SER CB . . . . . . . . . rr_1aqa 1 . 1 . 947 . 1 1 64 SER H H 3.436 12.673 8.129 . . . 1.0 . . . . . . . . . . . . A . 64 SER H . . . . . . . . . rr_1aqa 1 . 1 . 948 . 1 1 64 SER HA H 4.495 12.557 10.815 . . . 1.0 . . . . . . . . . . . . A . 64 SER HA . . . . . . . . . rr_1aqa 1 . 1 . 949 . 1 1 64 SER HB2 H 1.717 13.439 9.930 . . . 1.0 . . . . . . . . . . . . A . 64 SER HB2 . . . . . . . . . rr_1aqa 1 . 1 . 950 . 1 1 64 SER HB3 H 2.603 13.932 11.382 . . . 1.0 . . . . . . . . . . . . A . 64 SER HB3 . . . . . . . . . rr_1aqa 1 . 1 . 951 . 1 1 64 SER HG H 2.760 15.477 9.616 . . . 1.0 . . . . . . . . . . . . A . 64 SER HG . . . . . . . . . rr_1aqa 1 . 1 . 952 . 1 1 64 SER N N 3.970 12.191 8.836 . . . 1.0 . . . . . . . . . . . . A . 64 SER N . . . . . . . . . rr_1aqa 1 . 1 . 953 . 1 1 64 SER O O 2.135 10.518 9.945 . . . 1.0 . . . . . . . . . . . . A . 64 SER O . . . . . . . . . rr_1aqa 1 . 1 . 954 . 1 1 64 SER OG O 3.317 14.693 9.598 . . . 1.0 . . . . . . . . . . . . A . 64 SER OG . . . . . . . . . rr_1aqa 1 . 1 . 955 . 1 1 65 THR C C 0.910 9.510 12.247 . . . 1.0 . . . . . . . . . . . . A . 65 THR C . . . . . . . . . rr_1aqa 1 . 1 . 956 . 1 1 65 THR CA C 2.389 9.646 12.623 . . . 1.0 . . . . . . . . . . . . A . 65 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 957 . 1 1 65 THR CB C 2.586 9.778 14.137 . . . 1.0 . . . . . . . . . . . . A . 65 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 958 . 1 1 65 THR CG2 C 2.358 8.448 14.854 . . . 1.0 . . . . . . . . . . . . A . 65 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 959 . 1 1 65 THR H H 3.612 11.338 12.611 . . . 1.0 . . . . . . . . . . . . A . 65 THR H . . . . . . . . . rr_1aqa 1 . 1 . 960 . 1 1 65 THR HA H 2.918 8.759 12.270 . . . 1.0 . . . . . . . . . . . . A . 65 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 961 . 1 1 65 THR HB H 1.893 10.526 14.531 . . . 1.0 . . . . . . . . . . . . A . 65 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 962 . 1 1 65 THR HG1 H 4.524 9.576 14.029 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 963 . 1 1 65 THR HG21 H 3.041 7.693 14.467 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 964 . 1 1 65 THR HG22 H 2.535 8.580 15.922 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 965 . 1 1 65 THR HG23 H 1.330 8.115 14.705 . . . 1.0 . . . . . . . . . . . . A . 65 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 966 . 1 1 65 THR N N 3.012 10.802 11.998 . . . 1.0 . . . . . . . . . . . . A . 65 THR N . . . . . . . . . rr_1aqa 1 . 1 . 967 . 1 1 65 THR O O 0.436 8.405 12.002 . . . 1.0 . . . . . . . . . . . . A . 65 THR O . . . . . . . . . rr_1aqa 1 . 1 . 968 . 1 1 65 THR OG1 O 3.908 10.222 14.383 . . . 1.0 . . . . . . . . . . . . A . 65 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 969 . 1 1 66 ASP C C -1.450 9.922 10.459 . . . 1.0 . . . . . . . . . . . . A . 66 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 970 . 1 1 66 ASP CA C -1.180 10.769 11.710 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 971 . 1 1 66 ASP CB C -1.457 12.259 11.403 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 972 . 1 1 66 ASP CG C -0.845 13.229 12.410 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 973 . 1 1 66 ASP H H 0.669 11.515 12.368 . . . 1.0 . . . . . . . . . . . . A . 66 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 974 . 1 1 66 ASP HA H -1.831 10.428 12.518 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 975 . 1 1 66 ASP HB2 H -1.037 12.526 10.434 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 976 . 1 1 66 ASP HB3 H -2.534 12.420 11.361 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 977 . 1 1 66 ASP N N 0.201 10.633 12.156 . . . 1.0 . . . . . . . . . . . . A . 66 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 978 . 1 1 66 ASP O O -2.381 9.113 10.418 . . . 1.0 . . . . . . . . . . . . A . 66 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 979 . 1 1 66 ASP OD1 O 0.408 13.240 12.470 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 980 . 1 1 66 ASP OD2 O -1.624 13.924 13.093 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 981 . 1 1 67 ALA C C -0.485 7.923 8.302 . . . 1.0 . . . . . . . . . . . . A . 67 ALA C . . . . . . . . . rr_1aqa 1 . 1 . 982 . 1 1 67 ALA CA C -0.693 9.432 8.153 . . . 1.0 . . . . . . . . . . . . A . 67 ALA CA . . . . . . . . . rr_1aqa 1 . 1 . 983 . 1 1 67 ALA CB C 0.347 10.032 7.204 . . . 1.0 . . . . . . . . . . . . A . 67 ALA CB . . . . . . . . . rr_1aqa 1 . 1 . 984 . 1 1 67 ALA H H 0.217 10.681 9.613 . . . 1.0 . . . . . . . . . . . . A . 67 ALA H . . . . . . . . . rr_1aqa 1 . 1 . 985 . 1 1 67 ALA HA H -1.684 9.608 7.732 . . . 1.0 . . . . . . . . . . . . A . 67 ALA HA . . . . . . . . . rr_1aqa 1 . 1 . 986 . 1 1 67 ALA HB1 H 0.194 11.107 7.097 . . . 1.0 . . . . . . . . . . . . A . 67 ALA HB1 . . . . . . . . . rr_1aqa 1 . 1 . 987 . 1 1 67 ALA HB2 H 1.342 9.861 7.607 . . . 1.0 . . . . . . . . . . . . A . 67 ALA HB2 . . . . . . . . . rr_1aqa 1 . 1 . 988 . 1 1 67 ALA HB3 H 0.271 9.557 6.225 . . . 1.0 . . . . . . . . . . . . A . 67 ALA HB3 . . . . . . . . . rr_1aqa 1 . 1 . 989 . 1 1 67 ALA N N -0.602 10.106 9.442 . . . 1.0 . . . . . . . . . . . . A . 67 ALA N . . . . . . . . . rr_1aqa 1 . 1 . 990 . 1 1 67 ALA O O -0.958 7.135 7.486 . . . 1.0 . . . . . . . . . . . . A . 67 ALA O . . . . . . . . . rr_1aqa 1 . 1 . 991 . 1 1 68 ARG C C -0.863 5.632 10.504 . . . 1.0 . . . . . . . . . . . . A . 68 ARG C . . . . . . . . . rr_1aqa 1 . 1 . 992 . 1 1 68 ARG CA C 0.361 6.112 9.724 . . . 1.0 . . . . . . . . . . . . A . 68 ARG CA . . . . . . . . . rr_1aqa 1 . 1 . 993 . 1 1 68 ARG CB C 1.653 5.938 10.538 . . . 1.0 . . . . . . . . . . . . A . 68 ARG CB . . . . . . . . . rr_1aqa 1 . 1 . 994 . 1 1 68 ARG CD C 3.314 4.348 11.499 . . . 1.0 . . . . . . . . . . . . A . 68 ARG CD . . . . . . . . . rr_1aqa 1 . 1 . 995 . 1 1 68 ARG CG C 2.332 4.577 10.339 . . . 1.0 . . . . . . . . . . . . A . 68 ARG CG . . . . . . . . . rr_1aqa 1 . 1 . 996 . 1 1 68 ARG CZ C 5.036 2.621 12.086 . . . 1.0 . . . . . . . . . . . . A . 68 ARG CZ . . . . . . . . . rr_1aqa 1 . 1 . 997 . 1 1 68 ARG H H 0.605 8.203 9.984 . . . 1.0 . . . . . . . . . . . . A . 68 ARG H . . . . . . . . . rr_1aqa 1 . 1 . 998 . 1 1 68 ARG HA H 0.393 5.515 8.814 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HA . . . . . . . . . rr_1aqa 1 . 1 . 999 . 1 1 68 ARG HB2 H 2.372 6.705 10.245 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1000 . 1 1 68 ARG HB3 H 1.423 6.076 11.595 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1001 . 1 1 68 ARG HD2 H 3.839 5.281 11.712 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1002 . 1 1 68 ARG HD3 H 2.721 4.068 12.370 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HD3 . . . . . . . . . rr_1aqa 1 . 1 . 1003 . 1 1 68 ARG HE H 4.680 3.261 10.221 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HE . . . . . . . . . rr_1aqa 1 . 1 . 1004 . 1 1 68 ARG HG2 H 1.589 3.778 10.328 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1005 . 1 1 68 ARG HG3 H 2.858 4.590 9.383 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1006 . 1 1 68 ARG HH11 H 4.028 3.316 13.709 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HH11 . . . . . . . . . rr_1aqa 1 . 1 . 1007 . 1 1 68 ARG HH12 H 5.279 2.172 14.080 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HH12 . . . . . . . . . rr_1aqa 1 . 1 . 1008 . 1 1 68 ARG HH21 H 6.224 1.883 10.653 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HH21 . . . . . . . . . rr_1aqa 1 . 1 . 1009 . 1 1 68 ARG HH22 H 6.619 1.300 12.271 . . . 1.0 . . . . . . . . . . . . A . 68 ARG HH22 . . . . . . . . . rr_1aqa 1 . 1 . 1010 . 1 1 68 ARG N N 0.219 7.508 9.356 . . . 1.0 . . . . . . . . . . . . A . 68 ARG N . . . . . . . . . rr_1aqa 1 . 1 . 1011 . 1 1 68 ARG NE N 4.337 3.333 11.187 . . . 1.0 . . . . . . . . . . . . A . 68 ARG NE . . . . . . . . . rr_1aqa 1 . 1 . 1012 . 1 1 68 ARG NH1 N 4.759 2.699 13.395 . . . 1.0 . . . . . . . . . . . . A . 68 ARG NH1 . . . . . . . . . rr_1aqa 1 . 1 . 1013 . 1 1 68 ARG NH2 N 6.028 1.839 11.662 . . . 1.0 . . . . . . . . . . . . A . 68 ARG NH2 . . . . . . . . . rr_1aqa 1 . 1 . 1014 . 1 1 68 ARG O O -1.328 4.516 10.282 . . . 1.0 . . . . . . . . . . . . A . 68 ARG O . . . . . . . . . rr_1aqa 1 . 1 . 1015 . 1 1 69 GLU C C -3.698 5.604 11.591 . . . 1.0 . . . . . . . . . . . . A . 69 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 1016 . 1 1 69 GLU CA C -2.411 5.932 12.339 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 1017 . 1 1 69 GLU CB C -2.657 6.859 13.538 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 1018 . 1 1 69 GLU CD C -4.332 6.381 15.396 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 1019 . 1 1 69 GLU CG C -2.984 6.031 14.797 . . . 1.0 . . . . . . . . . . . . A . 69 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 1020 . 1 1 69 GLU H H -0.987 7.351 11.583 . . . 1.0 . . . . . . . . . . . . A . 69 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 1021 . 1 1 69 GLU HA H -1.991 5.003 12.718 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 1022 . 1 1 69 GLU HB2 H -1.765 7.447 13.748 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1023 . 1 1 69 GLU HB3 H -3.476 7.548 13.315 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1024 . 1 1 69 GLU HG2 H -3.009 4.962 14.588 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1025 . 1 1 69 GLU HG3 H -2.222 6.215 15.554 . . . 1.0 . . . . . . . . . . . . A . 69 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1026 . 1 1 69 GLU N N -1.393 6.434 11.430 . . . 1.0 . . . . . . . . . . . . A . 69 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 1027 . 1 1 69 GLU O O -4.256 4.525 11.778 . . . 1.0 . . . . . . . . . . . . A . 69 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 1028 . 1 1 69 GLU OE1 O -4.435 7.484 15.967 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 1029 . 1 1 69 GLU OE2 O -5.227 5.513 15.266 . . . 1.0 . . . . . . . . . . . . A . 69 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 1030 . 1 1 70 LEU C C -5.057 4.901 9.036 . . . 1.0 . . . . . . . . . . . . A . 70 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 1031 . 1 1 70 LEU CA C -5.311 6.164 9.862 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 1032 . 1 1 70 LEU CB C -5.798 7.380 9.047 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 1033 . 1 1 70 LEU CD1 C -3.908 7.191 7.305 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1034 . 1 1 70 LEU CD2 C -6.299 6.856 6.582 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 1035 . 1 1 70 LEU CG C -5.366 7.565 7.576 . . . 1.0 . . . . . . . . . . . . A . 70 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 1036 . 1 1 70 LEU H H -3.655 7.367 10.561 . . . 1.0 . . . . . . . . . . . . A . 70 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 1037 . 1 1 70 LEU HA H -6.121 5.924 10.554 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 1038 . 1 1 70 LEU HB2 H -6.888 7.357 9.056 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1039 . 1 1 70 LEU HB3 H -5.494 8.272 9.594 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1040 . 1 1 70 LEU HD11 H -3.330 7.291 8.220 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 1041 . 1 1 70 LEU HD12 H -3.836 6.186 6.901 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 1042 . 1 1 70 LEU HD13 H -3.472 7.838 6.555 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 1043 . 1 1 70 LEU HD21 H -7.322 7.211 6.712 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 1044 . 1 1 70 LEU HD22 H -5.982 7.081 5.564 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 1045 . 1 1 70 LEU HD23 H -6.279 5.778 6.722 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 1046 . 1 1 70 LEU HG H -5.465 8.632 7.373 . . . 1.0 . . . . . . . . . . . . A . 70 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 1047 . 1 1 70 LEU N N -4.149 6.488 10.692 . . . 1.0 . . . . . . . . . . . . A . 70 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 1048 . 1 1 70 LEU O O -5.992 4.189 8.680 . . . 1.0 . . . . . . . . . . . . A . 70 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 1049 . 1 1 71 SER C C -3.997 2.196 8.366 . . . 1.0 . . . . . . . . . . . . A . 71 SER C . . . . . . . . . rr_1aqa 1 . 1 . 1050 . 1 1 71 SER CA C -3.424 3.523 7.850 . . . 1.0 . . . . . . . . . . . . A . 71 SER CA . . . . . . . . . rr_1aqa 1 . 1 . 1051 . 1 1 71 SER CB C -1.917 3.548 7.551 . . . 1.0 . . . . . . . . . . . . A . 71 SER CB . . . . . . . . . rr_1aqa 1 . 1 . 1052 . 1 1 71 SER H H -3.057 5.182 9.131 . . . 1.0 . . . . . . . . . . . . A . 71 SER H . . . . . . . . . rr_1aqa 1 . 1 . 1053 . 1 1 71 SER HA H -3.888 3.764 6.900 . . . 1.0 . . . . . . . . . . . . A . 71 SER HA . . . . . . . . . rr_1aqa 1 . 1 . 1054 . 1 1 71 SER HB2 H -1.780 3.302 6.505 . . . 1.0 . . . . . . . . . . . . A . 71 SER HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1055 . 1 1 71 SER HB3 H -1.534 4.564 7.660 . . . 1.0 . . . . . . . . . . . . A . 71 SER HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1056 . 1 1 71 SER HG H -1.126 3.047 9.245 . . . 1.0 . . . . . . . . . . . . A . 71 SER HG . . . . . . . . . rr_1aqa 1 . 1 . 1057 . 1 1 71 SER N N -3.787 4.594 8.757 . . . 1.0 . . . . . . . . . . . . A . 71 SER N . . . . . . . . . rr_1aqa 1 . 1 . 1058 . 1 1 71 SER O O -4.590 1.430 7.608 . . . 1.0 . . . . . . . . . . . . A . 71 SER O . . . . . . . . . rr_1aqa 1 . 1 . 1059 . 1 1 71 SER OG O -1.168 2.660 8.359 . . . 1.0 . . . . . . . . . . . . A . 71 SER OG . . . . . . . . . rr_1aqa 1 . 1 . 1060 . 1 1 72 LYS C C -5.973 0.854 10.589 . . . 1.0 . . . . . . . . . . . . A . 72 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 1061 . 1 1 72 LYS CA C -4.462 0.794 10.340 . . . 1.0 . . . . . . . . . . . . A . 72 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 1062 . 1 1 72 LYS CB C -3.627 0.395 11.580 . . . 1.0 . . . . . . . . . . . . A . 72 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 1063 . 1 1 72 LYS CD C -4.186 1.618 13.842 . . . 1.0 . . . . . . . . . . . . A . 72 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 1064 . 1 1 72 LYS CE C -5.581 2.199 13.548 . . . 1.0 . . . . . . . . . . . . A . 72 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 1065 . 1 1 72 LYS CG C -3.255 1.470 12.622 . . . 1.0 . . . . . . . . . . . . A . 72 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 1066 . 1 1 72 LYS H H -3.531 2.724 10.252 . . . 1.0 . . . . . . . . . . . . A . 72 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 1067 . 1 1 72 LYS HA H -4.347 -0.030 9.636 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 1068 . 1 1 72 LYS HB2 H -4.086 -0.455 12.087 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1069 . 1 1 72 LYS HB3 H -2.678 0.043 11.173 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1070 . 1 1 72 LYS HD2 H -4.299 0.650 14.335 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1071 . 1 1 72 LYS HD3 H -3.662 2.277 14.539 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 1072 . 1 1 72 LYS HE2 H -5.583 2.726 12.599 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 1073 . 1 1 72 LYS HE3 H -6.303 1.380 13.479 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 1074 . 1 1 72 LYS HG2 H -2.293 1.154 13.032 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1075 . 1 1 72 LYS HG3 H -3.066 2.431 12.151 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1076 . 1 1 72 LYS HZ1 H -6.007 2.781 15.502 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 1077 . 1 1 72 LYS HZ2 H -5.413 4.006 14.600 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 1078 . 1 1 72 LYS HZ3 H -6.933 3.529 14.373 . . . 1.0 . . . . . . . . . . . . A . 72 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 1079 . 1 1 72 LYS N N -3.925 1.985 9.687 . . . 1.0 . . . . . . . . . . . . A . 72 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 1080 . 1 1 72 LYS NZ N -6.011 3.174 14.574 . . . 1.0 . . . . . . . . . . . . A . 72 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 1081 . 1 1 72 LYS O O -6.484 0.057 11.371 . . . 1.0 . . . . . . . . . . . . A . 72 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 1082 . 1 1 73 THR C C -8.729 0.835 8.892 . . . 1.0 . . . . . . . . . . . . A . 73 THR C . . . . . . . . . rr_1aqa 1 . 1 . 1083 . 1 1 73 THR CA C -8.161 1.774 9.967 . . . 1.0 . . . . . . . . . . . . A . 73 THR CA . . . . . . . . . rr_1aqa 1 . 1 . 1084 . 1 1 73 THR CB C -8.691 3.220 9.863 . . . 1.0 . . . . . . . . . . . . A . 73 THR CB . . . . . . . . . rr_1aqa 1 . 1 . 1085 . 1 1 73 THR CG2 C -9.012 3.675 8.434 . . . 1.0 . . . . . . . . . . . . A . 73 THR CG2 . . . . . . . . . rr_1aqa 1 . 1 . 1086 . 1 1 73 THR H H -6.245 2.445 9.335 . . . 1.0 . . . . . . . . . . . . A . 73 THR H . . . . . . . . . rr_1aqa 1 . 1 . 1087 . 1 1 73 THR HA H -8.487 1.395 10.937 . . . 1.0 . . . . . . . . . . . . A . 73 THR HA . . . . . . . . . rr_1aqa 1 . 1 . 1088 . 1 1 73 THR HB H -7.947 3.896 10.285 . . . 1.0 . . . . . . . . . . . . A . 73 THR HB . . . . . . . . . rr_1aqa 1 . 1 . 1089 . 1 1 73 THR HG1 H -10.182 4.263 10.564 . . . 1.0 . . . . . . . . . . . . A . 73 THR HG1 . . . . . . . . . rr_1aqa 1 . 1 . 1090 . 1 1 73 THR HG21 H -8.167 3.484 7.775 . . . 1.0 . . . . . . . . . . . . A . 73 THR HG21 . . . . . . . . . rr_1aqa 1 . 1 . 1091 . 1 1 73 THR HG22 H -9.888 3.146 8.057 . . . 1.0 . . . . . . . . . . . . A . 73 THR HG22 . . . . . . . . . rr_1aqa 1 . 1 . 1092 . 1 1 73 THR HG23 H -9.221 4.745 8.428 . . . 1.0 . . . . . . . . . . . . A . 73 THR HG23 . . . . . . . . . rr_1aqa 1 . 1 . 1093 . 1 1 73 THR N N -6.702 1.763 9.932 . . . 1.0 . . . . . . . . . . . . A . 73 THR N . . . . . . . . . rr_1aqa 1 . 1 . 1094 . 1 1 73 THR O O -9.764 0.212 9.111 . . . 1.0 . . . . . . . . . . . . A . 73 THR O . . . . . . . . . rr_1aqa 1 . 1 . 1095 . 1 1 73 THR OG1 O -9.856 3.364 10.649 . . . 1.0 . . . . . . . . . . . . A . 73 THR OG1 . . . . . . . . . rr_1aqa 1 . 1 . 1096 . 1 1 74 TYR C C -8.436 -1.451 6.665 . . . 1.0 . . . . . . . . . . . . A . 74 TYR C . . . . . . . . . rr_1aqa 1 . 1 . 1097 . 1 1 74 TYR CA C -8.628 0.067 6.559 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CA . . . . . . . . . rr_1aqa 1 . 1 . 1098 . 1 1 74 TYR CB C -8.027 0.649 5.266 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CB . . . . . . . . . rr_1aqa 1 . 1 . 1099 . 1 1 74 TYR CD1 C -9.497 2.719 5.121 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1100 . 1 1 74 TYR CD2 C -7.109 2.942 4.702 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CD2 . . . . . . . . . rr_1aqa 1 . 1 . 1101 . 1 1 74 TYR CE1 C -9.667 4.090 4.864 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CE1 . . . . . . . . . rr_1aqa 1 . 1 . 1102 . 1 1 74 TYR CE2 C -7.288 4.304 4.403 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CE2 . . . . . . . . . rr_1aqa 1 . 1 . 1103 . 1 1 74 TYR CG C -8.213 2.143 5.060 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CG . . . . . . . . . rr_1aqa 1 . 1 . 1104 . 1 1 74 TYR CZ C -8.567 4.879 4.489 . . . 1.0 . . . . . . . . . . . . A . 74 TYR CZ . . . . . . . . . rr_1aqa 1 . 1 . 1105 . 1 1 74 TYR H H -7.205 1.254 7.614 . . . 1.0 . . . . . . . . . . . . A . 74 TYR H . . . . . . . . . rr_1aqa 1 . 1 . 1106 . 1 1 74 TYR HA H -9.705 0.243 6.533 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HA . . . . . . . . . rr_1aqa 1 . 1 . 1107 . 1 1 74 TYR HB2 H -6.957 0.450 5.245 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1108 . 1 1 74 TYR HB3 H -8.482 0.138 4.416 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1109 . 1 1 74 TYR HD1 H -10.361 2.114 5.351 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HD1 . . . . . . . . . rr_1aqa 1 . 1 . 1110 . 1 1 74 TYR HD2 H -6.123 2.508 4.620 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1111 . 1 1 74 TYR HE1 H -10.651 4.532 4.915 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HE1 . . . . . . . . . rr_1aqa 1 . 1 . 1112 . 1 1 74 TYR HE2 H -6.441 4.897 4.093 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HE2 . . . . . . . . . rr_1aqa 1 . 1 . 1113 . 1 1 74 TYR HH H -7.958 6.645 3.900 . . . 1.0 . . . . . . . . . . . . A . 74 TYR HH . . . . . . . . . rr_1aqa 1 . 1 . 1114 . 1 1 74 TYR N N -8.075 0.752 7.724 . . . 1.0 . . . . . . . . . . . . A . 74 TYR N . . . . . . . . . rr_1aqa 1 . 1 . 1115 . 1 1 74 TYR O O -9.345 -2.154 7.092 . . . 1.0 . . . . . . . . . . . . A . 74 TYR O . . . . . . . . . rr_1aqa 1 . 1 . 1116 . 1 1 74 TYR OH O -8.753 6.198 4.200 . . . 1.0 . . . . . . . . . . . . A . 74 TYR OH . . . . . . . . . rr_1aqa 1 . 1 . 1117 . 1 1 75 ILE C C -7.800 -4.270 5.576 . . . 1.0 . . . . . . . . . . . . A . 75 ILE C . . . . . . . . . rr_1aqa 1 . 1 . 1118 . 1 1 75 ILE CA C -6.835 -3.337 6.311 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CA . . . . . . . . . rr_1aqa 1 . 1 . 1119 . 1 1 75 ILE CB C -6.554 -3.781 7.762 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CB . . . . . . . . . rr_1aqa 1 . 1 . 1120 . 1 1 75 ILE CD1 C -5.334 -3.066 9.906 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1121 . 1 1 75 ILE CG1 C -5.424 -2.941 8.382 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CG1 . . . . . . . . . rr_1aqa 1 . 1 . 1122 . 1 1 75 ILE CG2 C -6.160 -5.270 7.808 . . . 1.0 . . . . . . . . . . . . A . 75 ILE CG2 . . . . . . . . . rr_1aqa 1 . 1 . 1123 . 1 1 75 ILE H H -6.565 -1.288 5.951 . . . 1.0 . . . . . . . . . . . . A . 75 ILE H . . . . . . . . . rr_1aqa 1 . 1 . 1124 . 1 1 75 ILE HA H -5.902 -3.382 5.751 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HA . . . . . . . . . rr_1aqa 1 . 1 . 1125 . 1 1 75 ILE HB H -7.463 -3.620 8.339 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HB . . . . . . . . . rr_1aqa 1 . 1 . 1126 . 1 1 75 ILE HD11 H -6.282 -2.774 10.358 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD11 . . . . . . . . . rr_1aqa 1 . 1 . 1127 . 1 1 75 ILE HD12 H -5.086 -4.083 10.205 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD12 . . . . . . . . . rr_1aqa 1 . 1 . 1128 . 1 1 75 ILE HD13 H -4.549 -2.404 10.270 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HD13 . . . . . . . . . rr_1aqa 1 . 1 . 1129 . 1 1 75 ILE HG12 H -4.479 -3.267 7.953 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG12 . . . . . . . . . rr_1aqa 1 . 1 . 1130 . 1 1 75 ILE HG13 H -5.570 -1.884 8.159 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG13 . . . . . . . . . rr_1aqa 1 . 1 . 1131 . 1 1 75 ILE HG21 H -5.305 -5.446 7.156 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG21 . . . . . . . . . rr_1aqa 1 . 1 . 1132 . 1 1 75 ILE HG22 H -5.902 -5.571 8.821 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG22 . . . . . . . . . rr_1aqa 1 . 1 . 1133 . 1 1 75 ILE HG23 H -6.983 -5.907 7.488 . . . 1.0 . . . . . . . . . . . . A . 75 ILE HG23 . . . . . . . . . rr_1aqa 1 . 1 . 1134 . 1 1 75 ILE N N -7.256 -1.943 6.268 . . . 1.0 . . . . . . . . . . . . A . 75 ILE N . . . . . . . . . rr_1aqa 1 . 1 . 1135 . 1 1 75 ILE O O -8.770 -4.763 6.146 . . . 1.0 . . . . . . . . . . . . A . 75 ILE O . . . . . . . . . rr_1aqa 1 . 1 . 1136 . 1 1 76 ILE C C -7.303 -6.998 3.839 . . . 1.0 . . . . . . . . . . . . A . 76 ILE C . . . . . . . . . rr_1aqa 1 . 1 . 1137 . 1 1 76 ILE CA C -8.103 -5.705 3.629 . . . 1.0 . . . . . . . . . . . . A . 76 ILE CA . . . . . . . . . rr_1aqa 1 . 1 . 1138 . 1 1 76 ILE CB C -8.365 -5.375 2.149 . . . 1.0 . . . . . . . . . . . . A . 76 ILE CB . . . . . . . . . rr_1aqa 1 . 1 . 1139 . 1 1 76 ILE CD1 C -7.296 -5.222 -0.143 . . . 1.0 . . . . . . . . . . . . A . 76 ILE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1140 . 1 1 76 ILE CG1 C -7.073 -5.111 1.364 . . . 1.0 . . . . . . . . . . . . A . 76 ILE CG1 . . . . . . . . . rr_1aqa 1 . 1 . 1141 . 1 1 76 ILE CG2 C -9.317 -4.172 2.047 . . . 1.0 . . . . . . . . . . . . A . 76 ILE CG2 . . . . . . . . . rr_1aqa 1 . 1 . 1142 . 1 1 76 ILE H H -6.637 -4.183 3.909 . . . 1.0 . . . . . . . . . . . . A . 76 ILE H . . . . . . . . . rr_1aqa 1 . 1 . 1143 . 1 1 76 ILE HA H -9.088 -5.896 4.059 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HA . . . . . . . . . rr_1aqa 1 . 1 . 1144 . 1 1 76 ILE HB H -8.864 -6.240 1.709 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HB . . . . . . . . . rr_1aqa 1 . 1 . 1145 . 1 1 76 ILE HD11 H -7.638 -6.227 -0.394 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HD11 . . . . . . . . . rr_1aqa 1 . 1 . 1146 . 1 1 76 ILE HD12 H -8.030 -4.496 -0.485 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HD12 . . . . . . . . . rr_1aqa 1 . 1 . 1147 . 1 1 76 ILE HD13 H -6.354 -5.030 -0.648 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HD13 . . . . . . . . . rr_1aqa 1 . 1 . 1148 . 1 1 76 ILE HG12 H -6.685 -4.121 1.601 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HG12 . . . . . . . . . rr_1aqa 1 . 1 . 1149 . 1 1 76 ILE HG13 H -6.330 -5.858 1.628 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HG13 . . . . . . . . . rr_1aqa 1 . 1 . 1150 . 1 1 76 ILE HG21 H -10.209 -4.355 2.646 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HG21 . . . . . . . . . rr_1aqa 1 . 1 . 1151 . 1 1 76 ILE HG22 H -8.829 -3.266 2.410 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HG22 . . . . . . . . . rr_1aqa 1 . 1 . 1152 . 1 1 76 ILE HG23 H -9.627 -4.013 1.015 . . . 1.0 . . . . . . . . . . . . A . 76 ILE HG23 . . . . . . . . . rr_1aqa 1 . 1 . 1153 . 1 1 76 ILE N N -7.472 -4.590 4.321 . . . 1.0 . . . . . . . . . . . . A . 76 ILE N . . . . . . . . . rr_1aqa 1 . 1 . 1154 . 1 1 76 ILE O O -7.858 -8.081 3.667 . . . 1.0 . . . . . . . . . . . . A . 76 ILE O . . . . . . . . . rr_1aqa 1 . 1 . 1155 . 1 1 77 GLY C C -3.837 -7.854 5.026 . . . 1.0 . . . . . . . . . . . . A . 77 GLY C . . . . . . . . . rr_1aqa 1 . 1 . 1156 . 1 1 77 GLY CA C -5.225 -8.124 4.436 . . . 1.0 . . . . . . . . . . . . A . 77 GLY CA . . . . . . . . . rr_1aqa 1 . 1 . 1157 . 1 1 77 GLY H H -5.559 -6.023 4.334 . . . 1.0 . . . . . . . . . . . . A . 77 GLY H . . . . . . . . . rr_1aqa 1 . 1 . 1158 . 1 1 77 GLY HA2 H -5.773 -8.773 5.116 . . . 1.0 . . . . . . . . . . . . A . 77 GLY HA2 . . . . . . . . . rr_1aqa 1 . 1 . 1159 . 1 1 77 GLY HA3 H -5.106 -8.619 3.473 . . . 1.0 . . . . . . . . . . . . A . 77 GLY HA3 . . . . . . . . . rr_1aqa 1 . 1 . 1160 . 1 1 77 GLY N N -6.015 -6.919 4.211 . . . 1.0 . . . . . . . . . . . . A . 77 GLY N . . . . . . . . . rr_1aqa 1 . 1 . 1161 . 1 1 77 GLY O O -3.510 -6.705 5.312 . . . 1.0 . . . . . . . . . . . . A . 77 GLY O . . . . . . . . . rr_1aqa 1 . 1 . 1162 . 1 1 78 GLU C C -0.762 -9.157 4.264 . . . 1.0 . . . . . . . . . . . . A . 78 GLU C . . . . . . . . . rr_1aqa 1 . 1 . 1163 . 1 1 78 GLU CA C -1.601 -8.873 5.507 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CA . . . . . . . . . rr_1aqa 1 . 1 . 1164 . 1 1 78 GLU CB C -1.281 -9.802 6.689 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CB . . . . . . . . . rr_1aqa 1 . 1 . 1165 . 1 1 78 GLU CD C -1.261 -9.858 9.253 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CD . . . . . . . . . rr_1aqa 1 . 1 . 1166 . 1 1 78 GLU CG C -1.467 -9.017 8.000 . . . 1.0 . . . . . . . . . . . . A . 78 GLU CG . . . . . . . . . rr_1aqa 1 . 1 . 1167 . 1 1 78 GLU H H -3.416 -9.813 4.923 . . . 1.0 . . . . . . . . . . . . A . 78 GLU H . . . . . . . . . rr_1aqa 1 . 1 . 1168 . 1 1 78 GLU HA H -1.303 -7.871 5.793 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HA . . . . . . . . . rr_1aqa 1 . 1 . 1169 . 1 1 78 GLU HB2 H -1.920 -10.687 6.665 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1170 . 1 1 78 GLU HB3 H -0.241 -10.132 6.647 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1171 . 1 1 78 GLU HG2 H -0.728 -8.217 8.036 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1172 . 1 1 78 GLU HG3 H -2.459 -8.573 8.030 . . . 1.0 . . . . . . . . . . . . A . 78 GLU HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1173 . 1 1 78 GLU N N -3.027 -8.912 5.179 . . . 1.0 . . . . . . . . . . . . A . 78 GLU N . . . . . . . . . rr_1aqa 1 . 1 . 1174 . 1 1 78 GLU O O -0.327 -8.201 3.630 . . . 1.0 . . . . . . . . . . . . A . 78 GLU O . . . . . . . . . rr_1aqa 1 . 1 . 1175 . 1 1 78 GLU OE1 O -1.119 -11.090 9.116 . . . 1.0 . . . . . . . . . . . . A . 78 GLU OE1 . . . . . . . . . rr_1aqa 1 . 1 . 1176 . 1 1 78 GLU OE2 O -1.250 -9.230 10.338 . . . 1.0 . . . . . . . . . . . . A . 78 GLU OE2 . . . . . . . . . rr_1aqa 1 . 1 . 1177 . 1 1 79 LEU C C 0.390 -12.454 2.920 . . . 1.0 . . . . . . . . . . . . A . 79 LEU C . . . . . . . . . rr_1aqa 1 . 1 . 1178 . 1 1 79 LEU CA C 0.112 -10.965 2.743 . . . 1.0 . . . . . . . . . . . . A . 79 LEU CA . . . . . . . . . rr_1aqa 1 . 1 . 1179 . 1 1 79 LEU CB C 1.425 -10.245 2.407 . . . 1.0 . . . . . . . . . . . . A . 79 LEU CB . . . . . . . . . rr_1aqa 1 . 1 . 1180 . 1 1 79 LEU CD1 C 0.260 -8.993 0.476 . . . 1.0 . . . . . . . . . . . . A . 79 LEU CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1181 . 1 1 79 LEU CD2 C 2.744 -9.012 0.784 . . . 1.0 . . . . . . . . . . . . A . 79 LEU CD2 . . . . . . . . . rr_1aqa 1 . 1 . 1182 . 1 1 79 LEU CG C 1.471 -9.828 0.932 . . . 1.0 . . . . . . . . . . . . A . 79 LEU CG . . . . . . . . . rr_1aqa 1 . 1 . 1183 . 1 1 79 LEU H H -0.858 -11.156 4.551 . . . 1.0 . . . . . . . . . . . . A . 79 LEU H . . . . . . . . . rr_1aqa 1 . 1 . 1184 . 1 1 79 LEU HA H -0.607 -10.876 1.935 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HA . . . . . . . . . rr_1aqa 1 . 1 . 1185 . 1 1 79 LEU HB2 H 1.600 -9.378 3.039 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1186 . 1 1 79 LEU HB3 H 2.264 -10.918 2.595 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1187 . 1 1 79 LEU HD11 H -0.457 -8.862 1.282 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD11 . . . . . . . . . rr_1aqa 1 . 1 . 1188 . 1 1 79 LEU HD12 H 0.564 -8.007 0.136 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD12 . . . . . . . . . rr_1aqa 1 . 1 . 1189 . 1 1 79 LEU HD13 H -0.237 -9.488 -0.356 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD13 . . . . . . . . . rr_1aqa 1 . 1 . 1190 . 1 1 79 LEU HD21 H 3.586 -9.596 1.152 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD21 . . . . . . . . . rr_1aqa 1 . 1 . 1191 . 1 1 79 LEU HD22 H 2.895 -8.753 -0.262 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD22 . . . . . . . . . rr_1aqa 1 . 1 . 1192 . 1 1 79 LEU HD23 H 2.637 -8.117 1.392 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HD23 . . . . . . . . . rr_1aqa 1 . 1 . 1193 . 1 1 79 LEU HG H 1.555 -10.717 0.307 . . . 1.0 . . . . . . . . . . . . A . 79 LEU HG . . . . . . . . . rr_1aqa 1 . 1 . 1194 . 1 1 79 LEU N N -0.534 -10.438 3.936 . . . 1.0 . . . . . . . . . . . . A . 79 LEU N . . . . . . . . . rr_1aqa 1 . 1 . 1195 . 1 1 79 LEU O O 0.390 -12.962 4.040 . . . 1.0 . . . . . . . . . . . . A . 79 LEU O . . . . . . . . . rr_1aqa 1 . 1 . 1196 . 1 1 80 HIS C C 2.403 -14.664 2.569 . . . 1.0 . . . . . . . . . . . . A . 80 HIS C . . . . . . . . . rr_1aqa 1 . 1 . 1197 . 1 1 80 HIS CA C 1.082 -14.524 1.795 . . . 1.0 . . . . . . . . . . . . A . 80 HIS CA . . . . . . . . . rr_1aqa 1 . 1 . 1198 . 1 1 80 HIS CB C 1.261 -14.980 0.341 . . . 1.0 . . . . . . . . . . . . A . 80 HIS CB . . . . . . . . . rr_1aqa 1 . 1 . 1199 . 1 1 80 HIS CD2 C 0.704 -17.468 0.106 . . . 1.0 . . . . . . . . . . . . A . 80 HIS CD2 . . . . . . . . . rr_1aqa 1 . 1 . 1200 . 1 1 80 HIS CE1 C 2.702 -18.340 0.365 . . . 1.0 . . . . . . . . . . . . A . 80 HIS CE1 . . . . . . . . . rr_1aqa 1 . 1 . 1201 . 1 1 80 HIS CG C 1.605 -16.444 0.223 . . . 1.0 . . . . . . . . . . . . A . 80 HIS CG . . . . . . . . . rr_1aqa 1 . 1 . 1202 . 1 1 80 HIS H H 0.528 -12.668 0.915 . . . 1.0 . . . . . . . . . . . . A . 80 HIS H . . . . . . . . . rr_1aqa 1 . 1 . 1203 . 1 1 80 HIS HA H 0.298 -15.124 2.250 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HA . . . . . . . . . rr_1aqa 1 . 1 . 1204 . 1 1 80 HIS HB2 H 0.332 -14.800 -0.202 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1205 . 1 1 80 HIS HB3 H 2.050 -14.392 -0.132 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1206 . 1 1 80 HIS HD1 H 3.732 -16.521 0.509 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HD1 . . . . . . . . . rr_1aqa 1 . 1 . 1207 . 1 1 80 HIS HD2 H -0.368 -17.367 0.022 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1208 . 1 1 80 HIS HE1 H 3.507 -19.049 0.486 . . . 1.0 . . . . . . . . . . . . A . 80 HIS HE1 . . . . . . . . . rr_1aqa 1 . 1 . 1209 . 1 1 80 HIS N N 0.628 -13.144 1.806 . . . 1.0 . . . . . . . . . . . . A . 80 HIS N . . . . . . . . . rr_1aqa 1 . 1 . 1210 . 1 1 80 HIS ND1 N 2.854 -17.005 0.383 . . . 1.0 . . . . . . . . . . . . A . 80 HIS ND1 . . . . . . . . . rr_1aqa 1 . 1 . 1211 . 1 1 80 HIS NE2 N 1.410 -18.670 0.204 . . . 1.0 . . . . . . . . . . . . A . 80 HIS NE2 . . . . . . . . . rr_1aqa 1 . 1 . 1212 . 1 1 80 HIS O O 3.298 -13.828 2.404 . . . 1.0 . . . . . . . . . . . . A . 80 HIS O . . . . . . . . . rr_1aqa 1 . 1 . 1213 . 1 1 81 PRO C C 4.905 -16.540 3.110 . . . 1.0 . . . . . . . . . . . . A . 81 PRO C . . . . . . . . . rr_1aqa 1 . 1 . 1214 . 1 1 81 PRO CA C 3.828 -16.003 4.070 . . . 1.0 . . . . . . . . . . . . A . 81 PRO CA . . . . . . . . . rr_1aqa 1 . 1 . 1215 . 1 1 81 PRO CB C 3.449 -16.993 5.176 . . . 1.0 . . . . . . . . . . . . A . 81 PRO CB . . . . . . . . . rr_1aqa 1 . 1 . 1216 . 1 1 81 PRO CD C 1.564 -16.704 3.744 . . . 1.0 . . . . . . . . . . . . A . 81 PRO CD . . . . . . . . . rr_1aqa 1 . 1 . 1217 . 1 1 81 PRO CG C 2.293 -17.775 4.555 . . . 1.0 . . . . . . . . . . . . A . 81 PRO CG . . . . . . . . . rr_1aqa 1 . 1 . 1218 . 1 1 81 PRO HA H 4.210 -15.095 4.538 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HA . . . . . . . . . rr_1aqa 1 . 1 . 1219 . 1 1 81 PRO HB2 H 4.274 -17.636 5.484 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1220 . 1 1 81 PRO HB3 H 3.075 -16.435 6.034 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1221 . 1 1 81 PRO HD2 H 1.081 -17.169 2.886 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1222 . 1 1 81 PRO HD3 H 0.817 -16.216 4.374 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HD3 . . . . . . . . . rr_1aqa 1 . 1 . 1223 . 1 1 81 PRO HG2 H 2.691 -18.536 3.881 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1224 . 1 1 81 PRO HG3 H 1.650 -18.236 5.306 . . . 1.0 . . . . . . . . . . . . A . 81 PRO HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1225 . 1 1 81 PRO N N 2.580 -15.729 3.371 . . . 1.0 . . . . . . . . . . . . A . 81 PRO N . . . . . . . . . rr_1aqa 1 . 1 . 1226 . 1 1 81 PRO O O 5.392 -17.656 3.263 . . . 1.0 . . . . . . . . . . . . A . 81 PRO O . . . . . . . . . rr_1aqa 1 . 1 . 1227 . 1 1 82 ASP C C 6.883 -14.414 0.915 . . . 1.0 . . . . . . . . . . . . A . 82 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 1228 . 1 1 82 ASP CA C 6.481 -15.833 1.302 . . . 1.0 . . . . . . . . . . . . A . 82 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 1229 . 1 1 82 ASP CB C 6.223 -16.671 0.044 . . . 1.0 . . . . . . . . . . . . A . 82 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 1230 . 1 1 82 ASP CG C 7.498 -16.766 -0.792 . . . 1.0 . . . . . . . . . . . . A . 82 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 1231 . 1 1 82 ASP H H 4.812 -14.816 2.110 . . . 1.0 . . . . . . . . . . . . A . 82 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 1232 . 1 1 82 ASP HA H 7.289 -16.290 1.877 . . . 1.0 . . . . . . . . . . . . A . 82 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 1233 . 1 1 82 ASP HB2 H 5.920 -17.677 0.334 . . . 1.0 . . . . . . . . . . . . A . 82 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1234 . 1 1 82 ASP HB3 H 5.450 -16.223 -0.579 . . . 1.0 . . . . . . . . . . . . A . 82 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1235 . 1 1 82 ASP N N 5.287 -15.710 2.137 . . . 1.0 . . . . . . . . . . . . A . 82 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 1236 . 1 1 82 ASP O O 7.987 -13.951 1.212 . . . 1.0 . . . . . . . . . . . . A . 82 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 1237 . 1 1 82 ASP OD1 O 7.796 -15.786 -1.511 . . . 1.0 . . . . . . . . . . . . A . 82 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 1238 . 1 1 82 ASP OD2 O 8.165 -17.816 -0.689 . . . 1.0 . . . . . . . . . . . . A . 82 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 1239 . 1 1 83 ASP C C 6.495 -11.466 1.226 . . . 1.0 . . . . . . . . . . . . A . 83 ASP C . . . . . . . . . rr_1aqa 1 . 1 . 1240 . 1 1 83 ASP CA C 6.011 -12.279 0.027 . . . 1.0 . . . . . . . . . . . . A . 83 ASP CA . . . . . . . . . rr_1aqa 1 . 1 . 1241 . 1 1 83 ASP CB C 4.687 -11.764 -0.548 . . . 1.0 . . . . . . . . . . . . A . 83 ASP CB . . . . . . . . . rr_1aqa 1 . 1 . 1242 . 1 1 83 ASP CG C 4.400 -12.341 -1.929 . . . 1.0 . . . . . . . . . . . . A . 83 ASP CG . . . . . . . . . rr_1aqa 1 . 1 . 1243 . 1 1 83 ASP H H 5.037 -14.154 0.130 . . . 1.0 . . . . . . . . . . . . A . 83 ASP H . . . . . . . . . rr_1aqa 1 . 1 . 1244 . 1 1 83 ASP HA H 6.765 -12.193 -0.743 . . . 1.0 . . . . . . . . . . . . A . 83 ASP HA . . . . . . . . . rr_1aqa 1 . 1 . 1245 . 1 1 83 ASP HB2 H 3.866 -11.992 0.133 . . . 1.0 . . . . . . . . . . . . A . 83 ASP HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1246 . 1 1 83 ASP HB3 H 4.758 -10.683 -0.668 . . . 1.0 . . . . . . . . . . . . A . 83 ASP HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1247 . 1 1 83 ASP N N 5.904 -13.690 0.360 . . . 1.0 . . . . . . . . . . . . A . 83 ASP N . . . . . . . . . rr_1aqa 1 . 1 . 1248 . 1 1 83 ASP O O 7.230 -10.497 1.069 . . . 1.0 . . . . . . . . . . . . A . 83 ASP O . . . . . . . . . rr_1aqa 1 . 1 . 1249 . 1 1 83 ASP OD1 O 5.377 -12.522 -2.688 . . . 1.0 . . . . . . . . . . . . A . 83 ASP OD1 . . . . . . . . . rr_1aqa 1 . 1 . 1250 . 1 1 83 ASP OD2 O 3.206 -12.571 -2.222 . . . 1.0 . . . . . . . . . . . . A . 83 ASP OD2 . . . . . . . . . rr_1aqa 1 . 1 . 1251 . 1 1 84 ARG C C 8.226 -11.263 3.736 . . . 1.0 . . . . . . . . . . . . A . 84 ARG C . . . . . . . . . rr_1aqa 1 . 1 . 1252 . 1 1 84 ARG CA C 6.710 -11.506 3.712 . . . 1.0 . . . . . . . . . . . . A . 84 ARG CA . . . . . . . . . rr_1aqa 1 . 1 . 1253 . 1 1 84 ARG CB C 6.291 -12.550 4.757 . . . 1.0 . . . . . . . . . . . . A . 84 ARG CB . . . . . . . . . rr_1aqa 1 . 1 . 1254 . 1 1 84 ARG CD C 5.841 -13.163 7.124 . . . 1.0 . . . . . . . . . . . . A . 84 ARG CD . . . . . . . . . rr_1aqa 1 . 1 . 1255 . 1 1 84 ARG CG C 6.436 -12.082 6.211 . . . 1.0 . . . . . . . . . . . . A . 84 ARG CG . . . . . . . . . rr_1aqa 1 . 1 . 1256 . 1 1 84 ARG CZ C 6.619 -13.002 9.503 . . . 1.0 . . . . . . . . . . . . A . 84 ARG CZ . . . . . . . . . rr_1aqa 1 . 1 . 1257 . 1 1 84 ARG H H 5.476 -12.675 2.435 . . . 1.0 . . . . . . . . . . . . A . 84 ARG H . . . . . . . . . rr_1aqa 1 . 1 . 1258 . 1 1 84 ARG HA H 6.273 -10.545 3.961 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HA . . . . . . . . . rr_1aqa 1 . 1 . 1259 . 1 1 84 ARG HB2 H 5.238 -12.782 4.589 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1260 . 1 1 84 ARG HB3 H 6.875 -13.459 4.603 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1261 . 1 1 84 ARG HD2 H 4.823 -13.370 6.787 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1262 . 1 1 84 ARG HD3 H 6.406 -14.092 7.025 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HD3 . . . . . . . . . rr_1aqa 1 . 1 . 1263 . 1 1 84 ARG HE H 4.877 -12.258 8.767 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HE . . . . . . . . . rr_1aqa 1 . 1 . 1264 . 1 1 84 ARG HG2 H 7.486 -11.912 6.454 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1265 . 1 1 84 ARG HG3 H 5.888 -11.146 6.339 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1266 . 1 1 84 ARG HH11 H 8.069 -13.636 8.233 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HH11 . . . . . . . . . rr_1aqa 1 . 1 . 1267 . 1 1 84 ARG HH12 H 8.488 -13.763 9.915 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HH12 . . . . . . . . . rr_1aqa 1 . 1 . 1268 . 1 1 84 ARG HH21 H 5.383 -12.386 11.011 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HH21 . . . . . . . . . rr_1aqa 1 . 1 . 1269 . 1 1 84 ARG HH22 H 6.928 -12.969 11.533 . . . 1.0 . . . . . . . . . . . . A . 84 ARG HH22 . . . . . . . . . rr_1aqa 1 . 1 . 1270 . 1 1 84 ARG N N 6.154 -11.926 2.430 . . . 1.0 . . . . . . . . . . . . A . 84 ARG N . . . . . . . . . rr_1aqa 1 . 1 . 1271 . 1 1 84 ARG NE N 5.739 -12.727 8.526 . . . 1.0 . . . . . . . . . . . . A . 84 ARG NE . . . . . . . . . rr_1aqa 1 . 1 . 1272 . 1 1 84 ARG NH1 N 7.815 -13.522 9.204 . . . 1.0 . . . . . . . . . . . . A . 84 ARG NH1 . . . . . . . . . rr_1aqa 1 . 1 . 1273 . 1 1 84 ARG NH2 N 6.292 -12.761 10.778 . . . 1.0 . . . . . . . . . . . . A . 84 ARG NH2 . . . . . . . . . rr_1aqa 1 . 1 . 1274 . 1 1 84 ARG O O 8.682 -10.519 4.599 . . . 1.0 . . . . . . . . . . . . A . 84 ARG O . . . . . . . . . rr_1aqa 1 . 1 . 1275 . 1 1 85 SER C C 10.909 -10.901 1.538 . . . 1.0 . . . . . . . . . . . . A . 85 SER C . . . . . . . . . rr_1aqa 1 . 1 . 1276 . 1 1 85 SER CA C 10.459 -11.658 2.797 . . . 1.0 . . . . . . . . . . . . A . 85 SER CA . . . . . . . . . rr_1aqa 1 . 1 . 1277 . 1 1 85 SER CB C 11.204 -12.991 2.940 . . . 1.0 . . . . . . . . . . . . A . 85 SER CB . . . . . . . . . rr_1aqa 1 . 1 . 1278 . 1 1 85 SER H H 8.605 -12.538 2.191 . . . 1.0 . . . . . . . . . . . . A . 85 SER H . . . . . . . . . rr_1aqa 1 . 1 . 1279 . 1 1 85 SER HA H 10.736 -11.031 3.643 . . . 1.0 . . . . . . . . . . . . A . 85 SER HA . . . . . . . . . rr_1aqa 1 . 1 . 1280 . 1 1 85 SER HB2 H 10.830 -13.530 3.811 . . . 1.0 . . . . . . . . . . . . A . 85 SER HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1281 . 1 1 85 SER HB3 H 11.042 -13.600 2.048 . . . 1.0 . . . . . . . . . . . . A . 85 SER HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1282 . 1 1 85 SER HG H 12.870 -12.098 2.472 . . . 1.0 . . . . . . . . . . . . A . 85 SER HG . . . . . . . . . rr_1aqa 1 . 1 . 1283 . 1 1 85 SER N N 9.017 -11.889 2.854 . . . 1.0 . . . . . . . . . . . . A . 85 SER N . . . . . . . . . rr_1aqa 1 . 1 . 1284 . 1 1 85 SER O O 12.113 -10.757 1.324 . . . 1.0 . . . . . . . . . . . . A . 85 SER O . . . . . . . . . rr_1aqa 1 . 1 . 1285 . 1 1 85 SER OG O 12.590 -12.766 3.115 . . . 1.0 . . . . . . . . . . . . A . 85 SER OG . . . . . . . . . rr_1aqa 1 . 1 . 1286 . 1 1 86 LYS C C 10.330 -8.117 0.060 . . . 1.0 . . . . . . . . . . . . A . 86 LYS C . . . . . . . . . rr_1aqa 1 . 1 . 1287 . 1 1 86 LYS CA C 10.266 -9.567 -0.434 . . . 1.0 . . . . . . . . . . . . A . 86 LYS CA . . . . . . . . . rr_1aqa 1 . 1 . 1288 . 1 1 86 LYS CB C 9.172 -9.716 -1.502 . . . 1.0 . . . . . . . . . . . . A . 86 LYS CB . . . . . . . . . rr_1aqa 1 . 1 . 1289 . 1 1 86 LYS CD C 9.881 -11.763 -2.929 . . . 1.0 . . . . . . . . . . . . A . 86 LYS CD . . . . . . . . . rr_1aqa 1 . 1 . 1290 . 1 1 86 LYS CE C 9.231 -13.036 -3.500 . . . 1.0 . . . . . . . . . . . . A . 86 LYS CE . . . . . . . . . rr_1aqa 1 . 1 . 1291 . 1 1 86 LYS CG C 8.876 -11.155 -1.948 . . . 1.0 . . . . . . . . . . . . A . 86 LYS CG . . . . . . . . . rr_1aqa 1 . 1 . 1292 . 1 1 86 LYS H H 9.006 -10.578 0.925 . . . 1.0 . . . . . . . . . . . . A . 86 LYS H . . . . . . . . . rr_1aqa 1 . 1 . 1293 . 1 1 86 LYS HA H 11.225 -9.836 -0.882 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HA . . . . . . . . . rr_1aqa 1 . 1 . 1294 . 1 1 86 LYS HB2 H 8.243 -9.318 -1.097 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1295 . 1 1 86 LYS HB3 H 9.435 -9.112 -2.368 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1296 . 1 1 86 LYS HD2 H 10.088 -11.048 -3.729 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HD2 . . . . . . . . . rr_1aqa 1 . 1 . 1297 . 1 1 86 LYS HD3 H 10.804 -11.990 -2.392 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HD3 . . . . . . . . . rr_1aqa 1 . 1 . 1298 . 1 1 86 LYS HE2 H 8.890 -13.679 -2.683 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HE2 . . . . . . . . . rr_1aqa 1 . 1 . 1299 . 1 1 86 LYS HE3 H 8.355 -12.757 -4.092 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HE3 . . . . . . . . . rr_1aqa 1 . 1 . 1300 . 1 1 86 LYS HG2 H 8.822 -11.810 -1.079 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HG2 . . . . . . . . . rr_1aqa 1 . 1 . 1301 . 1 1 86 LYS HG3 H 7.895 -11.136 -2.431 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HG3 . . . . . . . . . rr_1aqa 1 . 1 . 1302 . 1 1 86 LYS HZ1 H 10.492 -13.249 -5.113 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HZ1 . . . . . . . . . rr_1aqa 1 . 1 . 1303 . 1 1 86 LYS HZ2 H 10.920 -14.160 -3.798 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HZ2 . . . . . . . . . rr_1aqa 1 . 1 . 1304 . 1 1 86 LYS HZ3 H 9.643 -14.610 -4.727 . . . 1.0 . . . . . . . . . . . . A . 86 LYS HZ3 . . . . . . . . . rr_1aqa 1 . 1 . 1305 . 1 1 86 LYS N N 9.980 -10.431 0.702 . . . 1.0 . . . . . . . . . . . . A . 86 LYS N . . . . . . . . . rr_1aqa 1 . 1 . 1306 . 1 1 86 LYS NZ N 10.147 -13.817 -4.351 . . . 1.0 . . . . . . . . . . . . A . 86 LYS NZ . . . . . . . . . rr_1aqa 1 . 1 . 1307 . 1 1 86 LYS O O 11.259 -7.385 -0.278 . . . 1.0 . . . . . . . . . . . . A . 86 LYS O . . . . . . . . . rr_1aqa 1 . 1 . 1308 . 1 1 87 ILE C C 10.492 -6.274 2.412 . . . 1.0 . . . . . . . . . . . . A . 87 ILE C . . . . . . . . . rr_1aqa 1 . 1 . 1309 . 1 1 87 ILE CA C 9.281 -6.394 1.484 . . . 1.0 . . . . . . . . . . . . A . 87 ILE CA . . . . . . . . . rr_1aqa 1 . 1 . 1310 . 1 1 87 ILE CB C 7.966 -6.183 2.268 . . . 1.0 . . . . . . . . . . . . A . 87 ILE CB . . . . . . . . . rr_1aqa 1 . 1 . 1311 . 1 1 87 ILE CD1 C 6.248 -7.702 1.103 . . . 1.0 . . . . . . . . . . . . A . 87 ILE CD1 . . . . . . . . . rr_1aqa 1 . 1 . 1312 . 1 1 87 ILE CG1 C 6.684 -6.273 1.420 . . . 1.0 . . . . . . . . . . . . A . 87 ILE CG1 . . . . . . . . . rr_1aqa 1 . 1 . 1313 . 1 1 87 ILE CG2 C 7.970 -4.792 2.924 . . . 1.0 . . . . . . . . . . . . A . 87 ILE CG2 . . . . . . . . . rr_1aqa 1 . 1 . 1314 . 1 1 87 ILE H H 8.638 -8.391 1.138 . . . 1.0 . . . . . . . . . . . . A . 87 ILE H . . . . . . . . . rr_1aqa 1 . 1 . 1315 . 1 1 87 ILE HA H 9.339 -5.638 0.699 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HA . . . . . . . . . rr_1aqa 1 . 1 . 1316 . 1 1 87 ILE HB H 7.907 -6.924 3.063 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HB . . . . . . . . . rr_1aqa 1 . 1 . 1317 . 1 1 87 ILE HD11 H 6.334 -8.322 1.995 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HD11 . . . . . . . . . rr_1aqa 1 . 1 . 1318 . 1 1 87 ILE HD12 H 5.211 -7.707 0.782 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HD12 . . . . . . . . . rr_1aqa 1 . 1 . 1319 . 1 1 87 ILE HD13 H 6.845 -8.107 0.290 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HD13 . . . . . . . . . rr_1aqa 1 . 1 . 1320 . 1 1 87 ILE HG12 H 5.872 -5.825 1.991 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HG12 . . . . . . . . . rr_1aqa 1 . 1 . 1321 . 1 1 87 ILE HG13 H 6.797 -5.714 0.494 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HG13 . . . . . . . . . rr_1aqa 1 . 1 . 1322 . 1 1 87 ILE HG21 H 8.810 -4.679 3.608 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HG21 . . . . . . . . . rr_1aqa 1 . 1 . 1323 . 1 1 87 ILE HG22 H 8.031 -4.020 2.157 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HG22 . . . . . . . . . rr_1aqa 1 . 1 . 1324 . 1 1 87 ILE HG23 H 7.055 -4.651 3.501 . . . 1.0 . . . . . . . . . . . . A . 87 ILE HG23 . . . . . . . . . rr_1aqa 1 . 1 . 1325 . 1 1 87 ILE N N 9.338 -7.715 0.868 . . . 1.0 . . . . . . . . . . . . A . 87 ILE N . . . . . . . . . rr_1aqa 1 . 1 . 1326 . 1 1 87 ILE O O 10.495 -6.847 3.501 . . . 1.0 . . . . . . . . . . . . A . 87 ILE O . . . . . . . . . rr_1aqa 1 . 1 . 1327 . 1 1 88 ALA C C 13.752 -4.588 1.776 . . . 1.0 . . . . . . . . . . . . A . 88 ALA C . . . . . . . . . rr_1aqa 1 . 1 . 1328 . 1 1 88 ALA CA C 12.817 -5.453 2.616 . . . 1.0 . . . . . . . . . . . . A . 88 ALA CA . . . . . . . . . rr_1aqa 1 . 1 . 1329 . 1 1 88 ALA CB C 13.444 -6.842 2.768 . . . 1.0 . . . . . . . . . . . . A . 88 ALA CB . . . . . . . . . rr_1aqa 1 . 1 . 1330 . 1 1 88 ALA H H 11.417 -5.098 1.073 . . . 1.0 . . . . . . . . . . . . A . 88 ALA H . . . . . . . . . rr_1aqa 1 . 1 . 1331 . 1 1 88 ALA HA H 12.689 -4.991 3.596 . . . 1.0 . . . . . . . . . . . . A . 88 ALA HA . . . . . . . . . rr_1aqa 1 . 1 . 1332 . 1 1 88 ALA HB1 H 13.430 -7.341 1.798 . . . 1.0 . . . . . . . . . . . . A . 88 ALA HB1 . . . . . . . . . rr_1aqa 1 . 1 . 1333 . 1 1 88 ALA HB2 H 14.474 -6.742 3.111 . . . 1.0 . . . . . . . . . . . . A . 88 ALA HB2 . . . . . . . . . rr_1aqa 1 . 1 . 1334 . 1 1 88 ALA HB3 H 12.895 -7.443 3.490 . . . 1.0 . . . . . . . . . . . . A . 88 ALA HB3 . . . . . . . . . rr_1aqa 1 . 1 . 1335 . 1 1 88 ALA N N 11.526 -5.569 1.958 . . . 1.0 . . . . . . . . . . . . A . 88 ALA N . . . . . . . . . rr_1aqa 1 . 1 . 1336 . 1 1 88 ALA O O 14.566 -3.839 2.315 . . . 1.0 . . . . . . . . . . . . A . 88 ALA O . . . . . . . . . rr_1aqa 1 . 1 . 1337 . 2 2 1 HEM C1A C 1.440 13.546 3.324 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C1A . . . . . . . . . rr_1aqa 1 . 1 . 1338 . 2 2 1 HEM C1B C -1.438 10.372 3.956 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C1B . . . . . . . . . rr_1aqa 1 . 1 . 1339 . 2 2 1 HEM C1C C 0.727 7.819 1.170 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C1C . . . . . . . . . rr_1aqa 1 . 1 . 1340 . 2 2 1 HEM C1D C 3.556 11.102 0.399 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C1D . . . . . . . . . rr_1aqa 1 . 1 . 1341 . 2 2 1 HEM C2A C 0.834 14.488 4.242 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C2A . . . . . . . . . rr_1aqa 1 . 1 . 1342 . 2 2 1 HEM C2B C -2.516 9.455 4.224 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C2B . . . . . . . . . rr_1aqa 1 . 1 . 1343 . 2 2 1 HEM C2C C 1.401 6.853 0.332 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C2C . . . . . . . . . rr_1aqa 1 . 1 . 1344 . 2 2 1 HEM C2D C 4.525 12.113 0.027 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C2D . . . . . . . . . rr_1aqa 1 . 1 . 1345 . 2 2 1 HEM C3A C -0.266 13.875 4.796 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C3A . . . . . . . . . rr_1aqa 1 . 1 . 1346 . 2 2 1 HEM C3B C -2.198 8.287 3.574 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C3B . . . . . . . . . rr_1aqa 1 . 1 . 1347 . 2 2 1 HEM C3C C 2.427 7.522 -0.287 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C3C . . . . . . . . . rr_1aqa 1 . 1 . 1348 . 2 2 1 HEM C3D C 4.295 13.224 0.814 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C3D . . . . . . . . . rr_1aqa 1 . 1 . 1349 . 2 2 1 HEM C4A C -0.373 12.565 4.197 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C4A . . . . . . . . . rr_1aqa 1 . 1 . 1350 . 2 2 1 HEM C4B C -0.991 8.487 2.806 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C4B . . . . . . . . . rr_1aqa 1 . 1 . 1351 . 2 2 1 HEM C4C C 2.484 8.876 0.197 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C4C . . . . . . . . . rr_1aqa 1 . 1 . 1352 . 2 2 1 HEM C4D C 3.147 12.926 1.646 . . . 1.0 . . . . . . . . . . . . A A 95 HEM C4D . . . . . . . . . rr_1aqa 1 . 1 . 1353 . 2 2 1 HEM CAA C 1.294 15.900 4.534 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CAA . . . . . . . . . rr_1aqa 1 . 1 . 1354 . 2 2 1 HEM CAB C -3.108 7.082 3.469 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CAB . . . . . . . . . rr_1aqa 1 . 1 . 1355 . 2 2 1 HEM CAC C 3.365 6.923 -1.312 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CAC . . . . . . . . . rr_1aqa 1 . 1 . 1356 . 2 2 1 HEM CAD C 5.108 14.512 0.843 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CAD . . . . . . . . . rr_1aqa 1 . 1 . 1357 . 2 2 1 HEM CBA C 2.264 15.991 5.717 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CBA . . . . . . . . . rr_1aqa 1 . 1 . 1358 . 2 2 1 HEM CBB C -2.757 5.904 4.029 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CBB . . . . . . . . . rr_1aqa 1 . 1 . 1359 . 2 2 1 HEM CBC C 4.214 5.923 -0.994 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CBC . . . . . . . . . rr_1aqa 1 . 1 . 1360 . 2 2 1 HEM CBD C 5.581 15.071 -0.507 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CBD . . . . . . . . . rr_1aqa 1 . 1 . 1361 . 2 2 1 HEM CGA C 2.545 17.435 6.123 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CGA . . . . . . . . . rr_1aqa 1 . 1 . 1362 . 2 2 1 HEM CGD C 6.065 16.512 -0.378 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CGD . . . . . . . . . rr_1aqa 1 . 1 . 1363 . 2 2 1 HEM CHA C 2.588 13.812 2.577 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CHA . . . . . . . . . rr_1aqa 1 . 1 . 1364 . 2 2 1 HEM CHB C -1.377 11.650 4.497 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CHB . . . . . . . . . rr_1aqa 1 . 1 . 1365 . 2 2 1 HEM CHC C -0.404 7.546 1.953 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CHC . . . . . . . . . rr_1aqa 1 . 1 . 1366 . 2 2 1 HEM CHD C 3.466 9.813 -0.158 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CHD . . . . . . . . . rr_1aqa 1 . 1 . 1367 . 2 2 1 HEM CMA C -1.141 14.440 5.893 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CMA . . . . . . . . . rr_1aqa 1 . 1 . 1368 . 2 2 1 HEM CMB C -3.783 9.791 4.976 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CMB . . . . . . . . . rr_1aqa 1 . 1 . 1369 . 2 2 1 HEM CMC C 1.075 5.389 0.179 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CMC . . . . . . . . . rr_1aqa 1 . 1 . 1370 . 2 2 1 HEM CMD C 5.546 12.021 -1.081 . . . 1.0 . . . . . . . . . . . . A A 95 HEM CMD . . . . . . . . . rr_1aqa 1 . 1 . 1371 . 2 2 1 HEM FE Fe 1.062 10.675 2.202 . . . 1.0 . . . . . . . . . . . . A A 95 HEM FE . . . . . . . . . rr_1aqa 1 . 1 . 1372 . 2 2 1 HEM HAB H -4.130 7.232 3.152 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HAB . . . . . . . . . rr_1aqa 1 . 1 . 1373 . 2 2 1 HEM HAC H 3.440 7.385 -2.283 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HAC . . . . . . . . . rr_1aqa 1 . 1 . 1374 . 2 2 1 HEM HHA H 3.056 14.768 2.725 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HHA . . . . . . . . . rr_1aqa 1 . 1 . 1375 . 2 2 1 HEM HHB H -2.140 11.932 5.200 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HHB . . . . . . . . . rr_1aqa 1 . 1 . 1376 . 2 2 1 HEM HHC H -0.853 6.569 1.892 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HHC . . . . . . . . . rr_1aqa 1 . 1 . 1377 . 2 2 1 HEM HHD H 4.204 9.500 -0.876 . . . 1.0 . . . . . . . . . . . . A A 95 HEM HHD . . . . . . . . . rr_1aqa 1 . 1 . 1378 . 2 2 1 HEM NA N 0.674 12.412 3.332 . . . 1.0 . . . . . . . . . . . . A A 95 HEM NA . . . . . . . . . rr_1aqa 1 . 1 . 1379 . 2 2 1 HEM NB N -0.574 9.764 3.076 . . . 1.0 . . . . . . . . . . . . A A 95 HEM NB . . . . . . . . . rr_1aqa 1 . 1 . 1380 . 2 2 1 HEM NC N 1.431 9.004 1.071 . . . 1.0 . . . . . . . . . . . . A A 95 HEM NC . . . . . . . . . rr_1aqa 1 . 1 . 1381 . 2 2 1 HEM ND N 2.741 11.655 1.347 . . . 1.0 . . . . . . . . . . . . A A 95 HEM ND . . . . . . . . . rr_1aqa 1 . 1 . 1382 . 2 2 1 HEM O1A O 3.273 17.607 7.124 . . . 1.0 . . . . . . . . . . . . A A 95 HEM O1A . . . . . . . . . rr_1aqa 1 . 1 . 1383 . 2 2 1 HEM O1D O 5.849 17.272 -1.346 . . . 1.0 . . . . . . . . . . . . A A 95 HEM O1D . . . . . . . . . rr_1aqa 1 . 1 . 1384 . 2 2 1 HEM O2A O 2.019 18.342 5.441 . . . 1.0 . . . . . . . . . . . . A A 95 HEM O2A . . . . . . . . . rr_1aqa 1 . 1 . 1385 . 2 2 1 HEM O2D O 6.647 16.826 0.683 . . . 1.0 . . . . . . . . . . . . A A 95 HEM O2D . . . . . . . . . rr_1aqa 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1aqa _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1aqa.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1aqa 1 1 1aqa.mr . . DYANA/DIANA 2 distance 'general distance' simple 1722 rr_1aqa 1 1 1aqa.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1aqa 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1aqa _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1aqa 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 ASP H1 H . . . 1 1 1 1 ASP HA H . . . . . . . 5.5 . . . . . . . . . . . . . . . . . . . . 1 ASP- HN . . . . . 1 ASP- HA . . rr_1aqa 1 2 1 . . 1 1 1 1 ASP H1 H . . . 1 1 1 1 ASP HB2 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 1 ASP- HN . . . . . 1 ASP- HB2 . . rr_1aqa 1 3 1 . . 1 1 1 1 ASP H1 H . . . 1 1 1 1 ASP HB3 H . . . . . . . 4.9 . . . . . . . . . . . . . . . . . . . . 1 ASP- HN . . . . . 1 ASP- HB3 . . rr_1aqa 1 4 1 . . 1 1 1 1 ASP HA H . . . 1 1 2 2 LYS H H . . . . . . . 4.6 . . . . . . . . . . . . . . . . . . . . 1 ASP- HA . . . . . 2 LYS+ HN . . rr_1aqa 1 5 1 . . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HA H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HN . . . . . 2 LYS+ HA . . rr_1aqa 1 6 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HN . . . . . 2 LYS+ QB . . rr_1aqa 1 6 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HN . . . . . 2 LYS+ QB . . rr_1aqa 1 7 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HB2 H . . . . . . . 5.2 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QB . . rr_1aqa 1 7 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HB3 H . . . . . . . 5.2 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QB . . rr_1aqa 1 8 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HG2 H . . . . . . . 6.0 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QG . . rr_1aqa 1 8 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HG3 H . . . . . . . 6.0 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QG . . rr_1aqa 1 9 1 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD2 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QD . . rr_1aqa 1 9 2 OR . 1 1 2 2 LYS HA H . . . 1 1 2 2 LYS HD3 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 2 LYS+ HA . . . . . 2 LYS+ QD . . rr_1aqa 1 10 1 OR . 1 1 2 2 LYS HB2 H . . . 1 1 2 2 LYS HG2 H . . . . . . . 6.7 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QG . . rr_1aqa 1 10 2 OR . 1 1 2 2 LYS HG3 H . . . 1 1 2 2 LYS HB2 H . . . . . . . 6.7 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QG . . . . . 2 LYS+ QB . . rr_1aqa 1 10 3 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG3 H . . . . . . . 6.7 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QG . . rr_1aqa 1 10 4 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HG2 H . . . . . . . 6.7 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QG . . rr_1aqa 1 11 1 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HD2 H . . . . . . . 6.9 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QD . . rr_1aqa 1 11 2 OR . 1 1 2 2 LYS HD3 H . . . 1 1 2 2 LYS HB2 H . . . . . . . 6.9 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QD . . . . . 2 LYS+ QB . . rr_1aqa 1 11 3 OR . 1 1 2 2 LYS HB3 H . . . 1 1 2 2 LYS HD3 H . . . . . . . 6.9 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QD . . rr_1aqa 1 11 4 OR . 1 1 2 2 LYS HB2 H . . . 1 1 2 2 LYS HD2 H . . . . . . . 6.9 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 2 LYS+ QD . . rr_1aqa 1 12 1 OR . 1 1 3 3 ASP H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 3 ASP- HN . . . . . 2 LYS+ QB . . rr_1aqa 1 12 2 OR . 1 1 2 2 LYS HB3 H . . . 1 1 3 3 ASP H H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QB . . . . . 3 ASP- HN . . rr_1aqa 1 13 1 OR . 1 1 2 2 LYS HD3 H . . . 1 1 2 2 LYS HG2 H . . . . . . . 6.8 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QD . . . . . 2 LYS+ QG . . rr_1aqa 1 13 2 OR . 1 1 2 2 LYS HD2 H . . . 1 1 2 2 LYS HG2 H . . . . . . . 6.8 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QD . . . . . 2 LYS+ QG . . rr_1aqa 1 13 3 OR . 1 1 2 2 LYS HG3 H . . . 1 1 2 2 LYS HD2 H . . . . . . . 6.8 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QG . . . . . 2 LYS+ QD . . rr_1aqa 1 13 4 OR . 1 1 2 2 LYS HG3 H . . . 1 1 2 2 LYS HD3 H . . . . . . . 6.8 . . . . . . . . . . . . . . . . . . . . 2 LYS+ QG . . . . . 2 LYS+ QD . . rr_1aqa 1 14 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HA H . . . . . . . 5.4 . . . . . . . . . . . . . . . . . . . . 3 ASP- HN . . . . . 3 ASP- HA . . rr_1aqa 1 15 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB2 H . . . . . . . 3.7 . . . . . . . . . . . . . . . . . . . . 3 ASP- HN . . . . . 3 ASP- HB2 . . rr_1aqa 1 16 1 . . 1 1 3 3 ASP H H . . . 1 1 3 3 ASP HB3 H . . . . . . . 4.6 . . . . . . . . . . . . . . . . . . . . 3 ASP- HN . . . . . 3 ASP- HB3 . . rr_1aqa 1 17 1 . . 1 1 3 3 ASP HA H . . . 1 1 3 3 ASP HB3 H . . . . . . . 4.9 . . . . . . . . . . . . . . . . . . . . 3 ASP- HA . . . . . 3 ASP- HB3 . . rr_1aqa 1 18 1 . . 1 1 3 3 ASP HA H . . . 1 1 4 4 VAL H H . . . . . . . 5.6 . . . . . . . . . . . . . . . . . . . . 3 ASP- HA . . . . . 4 VAL HN . . rr_1aqa 1 19 1 . . 1 1 3 3 ASP HB2 H . . . 1 1 4 4 VAL H H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 3 ASP- HB2 . . . . . 4 VAL HN . . rr_1aqa 1 20 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL HA H . . . . . . . 4.1 . . . . . . . . . . . . . . . . . . . . 4 VAL HN . . . . . 4 VAL HA . . rr_1aqa 1 21 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL HB H . . . . . . . 3.6 . . . . . . . . . . . . . . . . . . . . 4 VAL HN . . . . . 4 VAL HB . . rr_1aqa 1 22 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL MG1 H . . . . . . . 4.3 . . . . . . . . . . . . . . . . . . . . 4 VAL HN . . . . . 4 VAL QG1 . . rr_1aqa 1 23 1 . . 1 1 4 4 VAL H H . . . 1 1 4 4 VAL MG2 H . . . . . . . 4.9 . . . . . . . . . . . . . . . . . . . . 4 VAL HN . . . . . 4 VAL QG2 . . rr_1aqa 1 24 1 . . 1 1 4 4 VAL HA H . . . 1 1 4 4 VAL HB H . . . . . . . 3.4 . . . . . . . . . . . . . . . . . . . . 4 VAL HA . . . . . 4 VAL HB . . rr_1aqa 1 25 1 . . 1 1 4 4 VAL HA H . . . 1 1 4 4 VAL MG1 H . . . . . . . 4.0 . . . . . . . . . . . . . . . . . . . . 4 VAL HA . . . . . 4 VAL QG1 . . rr_1aqa 1 26 1 . . 1 1 4 4 VAL HA H . . . 1 1 4 4 VAL MG2 H . . . . . . . 4.1 . . . . . . . . . . . . . . . . . . . . 4 VAL HA . . . . . 4 VAL QG2 . . rr_1aqa 1 27 1 . . 1 1 4 4 VAL HA H . . . 1 1 5 5 LYS H H . . . . . . . 5.4 . . . . . . . . . . . . A . 5 LYS H . . . 4 VAL HA . . . . . 5 LYS+ HN . . rr_1aqa 1 28 1 . . 1 1 4 4 VAL HA H . . . 1 1 5 5 LYS HA H . . . . . . . 4.8 . . . . . . . . . . . . A . 5 LYS HA . . . 4 VAL HA . . . . . 5 LYS+ HA . . rr_1aqa 1 29 1 OR . 1 1 4 4 VAL HA H . . . 1 1 5 5 LYS HG2 H . . . . . . . 7.0 . . . . . . . . . . . . A . 5 LYS HG2 . . . 4 VAL HA . . . . . 5 LYS+ QG . . rr_1aqa 1 29 2 OR . 1 1 4 4 VAL HA H . . . 1 1 5 5 LYS HG3 H . . . . . . . 7.0 . . . . . . . . . . . . A . 5 LYS HG3 . . . 4 VAL HA . . . . . 5 LYS+ QG . . rr_1aqa 1 30 1 . . 1 1 4 4 VAL HA H . . . 1 1 6 6 TYR CG C . . . . . . . 8.0 . . . . . . . . . . . . A . 6 TYR CG . . . 4 VAL HA . . . . . 6 TYR CG . . rr_1aqa 1 31 1 . . 1 1 4 4 VAL HA H . . . 1 1 78 78 GLU H H . . . . . . . 4.6 . . . . . . . . . . . . A . 78 GLU H . . . 4 VAL HA . . . . . 78 GLU- HN . . rr_1aqa 1 32 1 . . 1 1 4 4 VAL HB H . . . 1 1 4 4 VAL MG1 H . . . . . . . 4.1 . . . . . . . . . . . . . . . . . . . . 4 VAL HB . . . . . 4 VAL QG1 . . rr_1aqa 1 33 1 . . 1 1 4 4 VAL HB H . . . 1 1 4 4 VAL MG2 H . . . . . . . 4.2 . . . . . . . . . . . . . . . . . . . . 4 VAL HB . . . . . 4 VAL QG2 . . rr_1aqa 1 34 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR HB2 H . . . . . . . 7.0 . . . . . . . . . . . . A . 6 TYR HB2 . . . 4 VAL QG1 . . . . . 6 TYR HB2 . . rr_1aqa 1 35 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR CG C . . . . . . . 8.0 . . . . . . . . . . . . A . 6 TYR CG . . . 4 VAL QG1 . . . . . 6 TYR CG . . rr_1aqa 1 36 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 6 6 TYR CZ C . . . . . . . 8.9 . . . . . . . . . . . . A . 6 TYR CZ . . . 4 VAL QG1 . . . . . 6 TYR CZ . . rr_1aqa 1 37 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 77 77 GLY HA2 H . . . . . . . 7.0 . . . . . . . . . . . . A . 77 GLY HA2 . . . 4 VAL QG1 . . . . . 77 GLY HA1 . . rr_1aqa 1 38 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 77 77 GLY HA3 H . . . . . . . 7.0 . . . . . . . . . . . . A . 77 GLY HA3 . . . 4 VAL QG1 . . . . . 77 GLY HA2 . . rr_1aqa 1 39 1 . . 1 1 4 4 VAL MG1 H . . . 1 1 78 78 GLU H H . . . . . . . 7.0 . . . . . . . . . . . . A . 78 GLU H . . . 4 VAL QG1 . . . . . 78 GLU- HN . . rr_1aqa 1 40 1 OR . 1 1 4 4 VAL MG1 H . . . 1 1 78 78 GLU HB2 H . . . . . . . 5.1 . . . . . . . . . . . . A . 78 GLU HB2 . . . 4 VAL QG1 . . . . . 78 GLU- QB . . rr_1aqa 1 40 2 OR . 1 1 4 4 VAL MG1 H . . . 1 1 78 78 GLU HB3 H . . . . . . . 5.1 . . . . . . . . . . . . A . 78 GLU HB3 . . . 4 VAL QG1 . . . . . 78 GLU- QB . . rr_1aqa 1 41 1 OR . 1 1 4 4 VAL MG1 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 7.5 . . . . . . . . . . . . A . 78 GLU HG2 . . . 4 VAL QG1 . . . . . 78 GLU- QG . . rr_1aqa 1 41 2 OR . 1 1 4 4 VAL MG1 H . . . 1 1 78 78 GLU HG3 H . . . . . . . 7.5 . . . . . . . . . . . . A . 78 GLU HG3 . . . 4 VAL QG1 . . . . . 78 GLU- QG . . rr_1aqa 1 42 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 5 5 LYS H H . . . . . . . 7.0 . . . . . . . . . . . . A . 5 LYS H . . . 4 VAL QG2 . . . . . 5 LYS+ HN . . rr_1aqa 1 43 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 5 5 LYS HA H . . . . . . . 6.7 . . . . . . . . . . . . A . 5 LYS HA . . . 4 VAL QG2 . . . . . 5 LYS+ HA . . rr_1aqa 1 44 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 6 6 TYR CG C . . . . . . . 8.9 . . . . . . . . . . . . A . 6 TYR CG . . . 4 VAL QG2 . . . . . 6 TYR CG . . rr_1aqa 1 45 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 6 6 TYR CZ C . . . . . . . 8.0 . . . . . . . . . . . . A . 6 TYR CZ . . . 4 VAL QG2 . . . . . 6 TYR CZ . . rr_1aqa 1 46 1 . . 1 1 4 4 VAL MG2 H . . . 1 1 78 78 GLU H H . . . . . . . 7.0 . . . . . . . . . . . . A . 78 GLU H . . . 4 VAL QG2 . . . . . 78 GLU- HN . . rr_1aqa 1 47 1 OR . 1 1 4 4 VAL MG2 H . . . 1 1 78 78 GLU HB2 H . . . . . . . 8.0 . . . . . . . . . . . . A . 78 GLU HB2 . . . 4 VAL QG2 . . . . . 78 GLU- QB . . rr_1aqa 1 47 2 OR . 1 1 4 4 VAL MG2 H . . . 1 1 78 78 GLU HB3 H . . . . . . . 8.0 . . . . . . . . . . . . A . 78 GLU HB3 . . . 4 VAL QG2 . . . . . 78 GLU- QB . . rr_1aqa 1 48 1 OR . 1 1 4 4 VAL MG2 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 7.6 . . . . . . . . . . . . A . 78 GLU HG2 . . . 4 VAL QG2 . . . . . 78 GLU- QG . . rr_1aqa 1 48 2 OR . 1 1 4 4 VAL MG2 H . . . 1 1 78 78 GLU HG3 H . . . . . . . 7.6 . . . . . . . . . . . . A . 78 GLU HG3 . . . 4 VAL QG2 . . . . . 78 GLU- QG . . rr_1aqa 1 49 1 . . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HA H . . . . . . . 3.0 . . . . . A . 5 LYS H . . A . 5 LYS HA . . . 5 LYS+ HN . . . . . 5 LYS+ HA . . rr_1aqa 1 50 1 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB2 H . . . . . . . 4.6 . . . . . A . 5 LYS H . . A . 5 LYS HB2 . . . 5 LYS+ HN . . . . . 5 LYS+ QB . . rr_1aqa 1 50 2 OR . 1 1 5 5 LYS H H . . . 1 1 5 5 LYS HB3 H . . . . . . . 4.6 . . . . . A . 5 LYS H . . A . 5 LYS HB3 . . . 5 LYS+ HN . . . . . 5 LYS+ QB . . rr_1aqa 1 51 1 . . 1 1 5 5 LYS H H . . . 1 1 6 6 TYR HA H . . . . . . . 4.3 . . . . . A . 5 LYS H . . A . 6 TYR HA . . . 5 LYS+ HN . . . . . 6 TYR HA . . rr_1aqa 1 52 1 . . 1 1 5 5 LYS H H . . . 1 1 6 6 TYR HB2 H . . . . . . . 5.3 . . . . . A . 5 LYS H . . A . 6 TYR HB2 . . . 5 LYS+ HN . . . . . 6 TYR HB2 . . rr_1aqa 1 53 1 . . 1 1 5 5 LYS H H . . . 1 1 6 6 TYR CG C . . . . . . . 8.0 . . . . . A . 5 LYS H . . A . 6 TYR CG . . . 5 LYS+ HN . . . . . 6 TYR CG . . rr_1aqa 1 54 1 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HB2 H . . . . . . . 4.1 . . . . . A . 5 LYS HA . . A . 5 LYS HB2 . . . 5 LYS+ HA . . . . . 5 LYS+ QB . . rr_1aqa 1 54 2 OR . 1 1 5 5 LYS HA H . . . 1 1 5 5 LYS HB3 H . . . . . . . 4.1 . . . . . A . 5 LYS HA . . A . 5 LYS HB3 . . . 5 LYS+ HA . . . . . 5 LYS+ QB . . rr_1aqa 1 55 1 . . 1 1 5 5 LYS HA H . . . 1 1 6 6 TYR H H . . . . . . . 3.1 . . . . . A . 5 LYS HA . . A . 6 TYR H . . . 5 LYS+ HA . . . . . 6 TYR HN . . rr_1aqa 1 56 1 . . 1 1 5 5 LYS HA H . . . 1 1 6 6 TYR HA H . . . . . . . 4.9 . . . . . A . 5 LYS HA . . A . 6 TYR HA . . . 5 LYS+ HA . . . . . 6 TYR HA . . rr_1aqa 1 57 1 . . 1 1 5 5 LYS HA H . . . 1 1 6 6 TYR CG C . . . . . . . 8.0 . . . . . A . 5 LYS HA . . A . 6 TYR CG . . . 5 LYS+ HA . . . . . 6 TYR CG . . rr_1aqa 1 58 1 . . 1 1 5 5 LYS HA H . . . 1 1 7 7 TYR CZ C . . . . . . . 8.0 . . . . . A . 5 LYS HA . . A . 7 TYR CZ . . . 5 LYS+ HA . . . . . 7 TYR CZ . . rr_1aqa 1 59 1 . . 1 1 5 5 LYS HA H . . . 1 1 78 78 GLU H H . . . . . . . 4.5 . . . . . A . 5 LYS HA . . A . 78 GLU H . . . 5 LYS+ HA . . . . . 78 GLU- HN . . rr_1aqa 1 60 1 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS HG2 H . . . . . . . 6.2 . . . . . A . 5 LYS HB3 . . A . 5 LYS HG2 . . . 5 LYS+ QB . . . . . 5 LYS+ QG . . rr_1aqa 1 60 2 OR . 1 1 5 5 LYS HB2 H . . . 1 1 5 5 LYS HG2 H . . . . . . . 6.2 . . . . . A . 5 LYS HB2 . . A . 5 LYS HG2 . . . 5 LYS+ QB . . . . . 5 LYS+ QG . . rr_1aqa 1 60 3 OR . 1 1 5 5 LYS HG3 H . . . 1 1 5 5 LYS HB2 H . . . . . . . 6.2 . . . . . A . 5 LYS HG3 . . A . 5 LYS HB2 . . . 5 LYS+ QG . . . . . 5 LYS+ QB . . rr_1aqa 1 60 4 OR . 1 1 5 5 LYS HG3 H . . . 1 1 5 5 LYS HB3 H . . . . . . . 6.2 . . . . . A . 5 LYS HG3 . . A . 5 LYS HB3 . . . 5 LYS+ QG . . . . . 5 LYS+ QB . . rr_1aqa 1 61 1 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS HE2 H . . . . . . . 6.9 . . . . . A . 5 LYS HB3 . . A . 5 LYS HE2 . . . 5 LYS+ QB . . . . . 5 LYS+ QE . . rr_1aqa 1 61 2 OR . 1 1 5 5 LYS HB2 H . . . 1 1 5 5 LYS HE2 H . . . . . . . 6.9 . . . . . A . 5 LYS HB2 . . A . 5 LYS HE2 . . . 5 LYS+ QB . . . . . 5 LYS+ QE . . rr_1aqa 1 61 3 OR . 1 1 5 5 LYS HE3 H . . . 1 1 5 5 LYS HB2 H . . . . . . . 6.9 . . . . . A . 5 LYS HE3 . . A . 5 LYS HB2 . . . 5 LYS+ QE . . . . . 5 LYS+ QB . . rr_1aqa 1 61 4 OR . 1 1 5 5 LYS HB3 H . . . 1 1 5 5 LYS HE3 H . . . . . . . 6.9 . . . . . A . 5 LYS HB3 . . A . 5 LYS HE3 . . . 5 LYS+ QB . . . . . 5 LYS+ QE . . rr_1aqa 1 62 1 OR . 1 1 6 6 TYR H H . . . 1 1 5 5 LYS HB2 H . . . . . . . 4.9 . . . . . A . 6 TYR H . . A . 5 LYS HB2 . . . 6 TYR HN . . . . . 5 LYS+ QB . . rr_1aqa 1 62 2 OR . 1 1 5 5 LYS HB3 H . . . 1 1 6 6 TYR H H . . . . . . . 4.9 . . . . . A . 5 LYS HB3 . . A . 6 TYR H . . . 5 LYS+ QB . . . . . 6 TYR HN . . rr_1aqa 1 63 1 OR . 1 1 7 7 TYR CZ C . . . 1 1 5 5 LYS HB2 H . . . . . . . 9.0 . . . . . A . 7 TYR CZ . . A . 5 LYS HB2 . . . 7 TYR CZ . . . . . 5 LYS+ QB . . rr_1aqa 1 63 2 OR . 1 1 5 5 LYS HB3 H . . . 1 1 7 7 TYR CZ C . . . . . . . 9.0 . . . . . A . 5 LYS HB3 . . A . 7 TYR CZ . . . 5 LYS+ QB . . . . . 7 TYR CZ . . rr_1aqa 1 64 1 OR . 1 1 78 78 GLU H H . . . 1 1 5 5 LYS HB2 H . . . . . . . 7.0 . . . . . A . 78 GLU H . . A . 5 LYS HB2 . . . 78 GLU- HN . . . . . 5 LYS+ QB . . rr_1aqa 1 64 2 OR . 1 1 78 78 GLU H H . . . 1 1 5 5 LYS HB3 H . . . . . . . 7.0 . . . . . A . 78 GLU H . . A . 5 LYS HB3 . . . 78 GLU- HN . . . . . 5 LYS+ QB . . rr_1aqa 1 65 1 OR . 1 1 6 6 TYR CZ C . . . 1 1 5 5 LYS HG2 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 5 LYS HG2 . . . 6 TYR CZ . . . . . 5 LYS+ QG . . rr_1aqa 1 65 2 OR . 1 1 5 5 LYS HG3 H . . . 1 1 6 6 TYR CZ C . . . . . . . 9.0 . . . . . A . 5 LYS HG3 . . A . 6 TYR CZ . . . 5 LYS+ QG . . . . . 6 TYR CZ . . rr_1aqa 1 66 1 . . 1 1 6 6 TYR HA H . . . 1 1 6 6 TYR H H . . . . . . . 4.6 . . . . . A . 6 TYR HA . . A . 6 TYR H . . . 6 TYR HA . . . . . 6 TYR HN . . rr_1aqa 1 67 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 6 6 TYR H H . . . . . . . 5.3 . . . . . A . 6 TYR HB2 . . A . 6 TYR H . . . 6 TYR HB2 . . . . . 6 TYR HN . . rr_1aqa 1 68 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB3 H . . . . . . . 4.1 . . . . . A . 6 TYR H . . A . 6 TYR HB3 . . . 6 TYR HN . . . . . 6 TYR HB3 . . rr_1aqa 1 69 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR H H . . . . . . . 7.6 . . . . . A . 6 TYR CG . . A . 6 TYR H . . . 6 TYR CG . . . . . 6 TYR HN . . rr_1aqa 1 70 1 . . 1 1 6 6 TYR H H . . . 1 1 79 79 LEU H H . . . . . . . 5.2 . . . . . A . 6 TYR H . . A . 79 LEU H . . . 6 TYR HN . . . . . 79 LEU HN . . rr_1aqa 1 71 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 6 6 TYR HA H . . . . . . . 4.0 . . . . . A . 6 TYR HB2 . . A . 6 TYR HA . . . 6 TYR HB2 . . . . . 6 TYR HA . . rr_1aqa 1 72 1 . . 1 1 6 6 TYR HA H . . . 1 1 6 6 TYR HB3 H . . . . . . . 3.8 . . . . . A . 6 TYR HA . . A . 6 TYR HB3 . . . 6 TYR HA . . . . . 6 TYR HB3 . . rr_1aqa 1 73 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HA H . . . . . . . 5.3 . . . . . A . 6 TYR CG . . A . 6 TYR HA . . . 6 TYR CG . . . . . 6 TYR HA . . rr_1aqa 1 74 1 . . 1 1 6 6 TYR CZ C . . . 1 1 6 6 TYR HA H . . . . . . . 6.6 . . . . . A . 6 TYR CZ . . A . 6 TYR HA . . . 6 TYR CZ . . . . . 6 TYR HA . . rr_1aqa 1 75 1 . . 1 1 6 6 TYR HA H . . . 1 1 7 7 TYR H H . . . . . . . 3.0 . . . . . A . 6 TYR HA . . A . 7 TYR H . . . 6 TYR HA . . . . . 7 TYR HN . . rr_1aqa 1 76 1 . . 1 1 78 78 GLU H H . . . 1 1 6 6 TYR HA H . . . . . . . 3.8 . . . . . A . 78 GLU H . . A . 6 TYR HA . . . 78 GLU- HN . . . . . 6 TYR HA . . rr_1aqa 1 77 1 . . 1 1 6 6 TYR HA H . . . 1 1 78 78 GLU HA H . . . . . . . 5.3 . . . . . A . 6 TYR HA . . A . 78 GLU HA . . . 6 TYR HA . . . . . 78 GLU- HA . . rr_1aqa 1 78 1 OR . 1 1 6 6 TYR HA H . . . 1 1 78 78 GLU HB2 H . . . . . . . 7.0 . . . . . A . 6 TYR HA . . A . 78 GLU HB2 . . . 6 TYR HA . . . . . 78 GLU- QB . . rr_1aqa 1 78 2 OR . 1 1 78 78 GLU HB3 H . . . 1 1 6 6 TYR HA H . . . . . . . 7.0 . . . . . A . 78 GLU HB3 . . A . 6 TYR HA . . . 78 GLU- QB . . . . . 6 TYR HA . . rr_1aqa 1 79 1 . . 1 1 6 6 TYR HA H . . . 1 1 79 79 LEU H H . . . . . . . 4.1 . . . . . A . 6 TYR HA . . A . 79 LEU H . . . 6 TYR HA . . . . . 79 LEU HN . . rr_1aqa 1 80 1 . . 1 1 6 6 TYR HA H . . . 1 1 80 80 HIS H H . . . . . . . 4.0 . . . . . A . 6 TYR HA . . A . 80 HIS H . . . 6 TYR HA . . . . . 80 HIS HN . . rr_1aqa 1 81 1 . . 1 1 6 6 TYR HA H . . . 1 1 80 80 HIS HA H . . . . . . . 5.0 . . . . . A . 6 TYR HA . . A . 80 HIS HA . . . 6 TYR HA . . . . . 80 HIS HA . . rr_1aqa 1 82 1 OR . 1 1 6 6 TYR HA H . . . 1 1 80 80 HIS HB2 H . . . . . . . 7.0 . . . . . A . 6 TYR HA . . A . 80 HIS HB2 . . . 6 TYR HA . . . . . 80 HIS QB . . rr_1aqa 1 82 2 OR . 1 1 6 6 TYR HA H . . . 1 1 80 80 HIS HB3 H . . . . . . . 7.0 . . . . . A . 6 TYR HA . . A . 80 HIS HB3 . . . 6 TYR HA . . . . . 80 HIS QB . . rr_1aqa 1 83 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HB2 H . . . . . . . 6.9 . . . . . A . 6 TYR CG . . A . 6 TYR HB2 . . . 6 TYR CG . . . . . 6 TYR HB2 . . rr_1aqa 1 84 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 7 7 TYR H H . . . . . . . 4.8 . . . . . A . 6 TYR HB2 . . A . 7 TYR H . . . 6 TYR HB2 . . . . . 7 TYR HN . . rr_1aqa 1 85 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 80 80 HIS H H . . . . . . . 6.0 . . . . . A . 6 TYR HB2 . . A . 80 HIS H . . . 6 TYR HB2 . . . . . 80 HIS HN . . rr_1aqa 1 86 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 80 80 HIS HA H . . . . . . . 6.0 . . . . . A . 6 TYR HB2 . . A . 80 HIS HA . . . 6 TYR HB2 . . . . . 80 HIS HA . . rr_1aqa 1 87 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 80 80 HIS HD2 H . . . . . . . 5.8 . . . . . A . 6 TYR HB2 . . A . 80 HIS HD2 . . . 6 TYR HB2 . . . . . 80 HIS HD2 . . rr_1aqa 1 88 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 81 81 PRO HD2 H . . . . . . . 6.0 . . . . . A . 6 TYR HB2 . . A . 81 PRO HD2 . . . 6 TYR HB2 . . . . . 81 PRO HD2 . . rr_1aqa 1 89 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 81 81 PRO HD3 H . . . . . . . 6.0 . . . . . A . 6 TYR HB2 . . A . 81 PRO HD3 . . . 6 TYR HB2 . . . . . 81 PRO HD3 . . rr_1aqa 1 90 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR HB3 H . . . . . . . 6.7 . . . . . A . 6 TYR CG . . A . 6 TYR HB3 . . . 6 TYR CG . . . . . 6 TYR HB3 . . rr_1aqa 1 91 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 7 7 TYR H H . . . . . . . 5.3 . . . . . A . 6 TYR HB3 . . A . 7 TYR H . . . 6 TYR HB3 . . . . . 7 TYR HN . . rr_1aqa 1 92 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 80 80 HIS HA H . . . . . . . 6.0 . . . . . A . 6 TYR HB3 . . A . 80 HIS HA . . . 6 TYR HB3 . . . . . 80 HIS HA . . rr_1aqa 1 93 1 OR . 1 1 6 6 TYR HB3 H . . . 1 1 80 80 HIS HB2 H . . . . . . . 6.5 . . . . . A . 6 TYR HB3 . . A . 80 HIS HB2 . . . 6 TYR HB3 . . . . . 80 HIS QB . . rr_1aqa 1 93 2 OR . 1 1 6 6 TYR HB3 H . . . 1 1 80 80 HIS HB3 H . . . . . . . 6.5 . . . . . A . 6 TYR HB3 . . A . 80 HIS HB3 . . . 6 TYR HB3 . . . . . 80 HIS QB . . rr_1aqa 1 94 1 . . 1 1 6 6 TYR HB3 H . . . 1 1 80 80 HIS HD2 H . . . . . . . 5.6 . . . . . A . 6 TYR HB3 . . A . 80 HIS HD2 . . . 6 TYR HB3 . . . . . 80 HIS HD2 . . rr_1aqa 1 95 1 . . 1 1 6 6 TYR CG C . . . 1 1 6 6 TYR CZ C . . . . . . . 8.3 . . . . . A . 6 TYR CG . . A . 6 TYR CZ . . . 6 TYR CG . . . . . 6 TYR CZ . . rr_1aqa 1 96 1 . . 1 1 6 6 TYR CG C . . . 1 1 7 7 TYR H H . . . . . . . 8.0 . . . . . A . 6 TYR CG . . A . 7 TYR H . . . 6 TYR CG . . . . . 7 TYR HN . . rr_1aqa 1 97 1 . . 1 1 6 6 TYR CG C . . . 1 1 78 78 GLU H H . . . . . . . 8.0 . . . . . A . 6 TYR CG . . A . 78 GLU H . . . 6 TYR CG . . . . . 78 GLU- HN . . rr_1aqa 1 98 1 OR . 1 1 6 6 TYR CG C . . . 1 1 78 78 GLU HB2 H . . . . . . . 8.3 . . . . . A . 6 TYR CG . . A . 78 GLU HB2 . . . 6 TYR CG . . . . . 78 GLU- QB . . rr_1aqa 1 98 2 OR . 1 1 6 6 TYR CG C . . . 1 1 78 78 GLU HB3 H . . . . . . . 8.3 . . . . . A . 6 TYR CG . . A . 78 GLU HB3 . . . 6 TYR CG . . . . . 78 GLU- QB . . rr_1aqa 1 99 1 OR . 1 1 6 6 TYR CG C . . . 1 1 78 78 GLU HG2 H . . . . . . . 9.0 . . . . . A . 6 TYR CG . . A . 78 GLU HG2 . . . 6 TYR CG . . . . . 78 GLU- QG . . rr_1aqa 1 99 2 OR . 1 1 6 6 TYR CG C . . . 1 1 78 78 GLU HG3 H . . . . . . . 9.0 . . . . . A . 6 TYR CG . . A . 78 GLU HG3 . . . 6 TYR CG . . . . . 78 GLU- QG . . rr_1aqa 1 100 1 . . 1 1 6 6 TYR CG C . . . 1 1 80 80 HIS H H . . . . . . . 8.0 . . . . . A . 6 TYR CG . . A . 80 HIS H . . . 6 TYR CG . . . . . 80 HIS HN . . rr_1aqa 1 101 1 . . 1 1 6 6 TYR CG C . . . 1 1 80 80 HIS HA H . . . . . . . 8.0 . . . . . A . 6 TYR CG . . A . 80 HIS HA . . . 6 TYR CG . . . . . 80 HIS HA . . rr_1aqa 1 102 1 OR . 1 1 6 6 TYR CG C . . . 1 1 80 80 HIS HB2 H . . . . . . . 9.0 . . . . . A . 6 TYR CG . . A . 80 HIS HB2 . . . 6 TYR CG . . . . . 80 HIS QB . . rr_1aqa 1 102 2 OR . 1 1 6 6 TYR CG C . . . 1 1 80 80 HIS HB3 H . . . . . . . 9.0 . . . . . A . 6 TYR CG . . A . 80 HIS HB3 . . . 6 TYR CG . . . . . 80 HIS QB . . rr_1aqa 1 103 1 . . 1 1 6 6 TYR CG C . . . 1 1 81 81 PRO HD3 H . . . . . . . 8.0 . . . . . A . 6 TYR CG . . A . 81 PRO HD3 . . . 6 TYR CG . . . . . 81 PRO HD3 . . rr_1aqa 1 104 1 . . 1 1 78 78 GLU H H . . . 1 1 6 6 TYR CZ C . . . . . . . 8.0 . . . . . A . 78 GLU H . . A . 6 TYR CZ . . . 78 GLU- HN . . . . . 6 TYR CZ . . rr_1aqa 1 105 1 OR . 1 1 6 6 TYR CZ C . . . 1 1 78 78 GLU HB2 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 78 GLU HB2 . . . 6 TYR CZ . . . . . 78 GLU- QB . . rr_1aqa 1 105 2 OR . 1 1 6 6 TYR CZ C . . . 1 1 78 78 GLU HB3 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 78 GLU HB3 . . . 6 TYR CZ . . . . . 78 GLU- QB . . rr_1aqa 1 106 1 OR . 1 1 6 6 TYR CZ C . . . 1 1 78 78 GLU HG2 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 78 GLU HG2 . . . 6 TYR CZ . . . . . 78 GLU- QG . . rr_1aqa 1 106 2 OR . 1 1 6 6 TYR CZ C . . . 1 1 78 78 GLU HG3 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 78 GLU HG3 . . . 6 TYR CZ . . . . . 78 GLU- QG . . rr_1aqa 1 107 1 . . 1 1 6 6 TYR CZ C . . . 1 1 80 80 HIS HA H . . . . . . . 8.0 . . . . . A . 6 TYR CZ . . A . 80 HIS HA . . . 6 TYR CZ . . . . . 80 HIS HA . . rr_1aqa 1 108 1 OR . 1 1 6 6 TYR CZ C . . . 1 1 80 80 HIS HB2 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 80 HIS HB2 . . . 6 TYR CZ . . . . . 80 HIS QB . . rr_1aqa 1 108 2 OR . 1 1 6 6 TYR CZ C . . . 1 1 80 80 HIS HB3 H . . . . . . . 9.0 . . . . . A . 6 TYR CZ . . A . 80 HIS HB3 . . . 6 TYR CZ . . . . . 80 HIS QB . . rr_1aqa 1 109 1 . . 1 1 6 6 TYR CZ C . . . 1 1 81 81 PRO HD3 H . . . . . . . 8.0 . . . . . A . 6 TYR CZ . . A . 81 PRO HD3 . . . 6 TYR CZ . . . . . 81 PRO HD3 . . rr_1aqa 1 110 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HA H . . . . . . . 3.2 . . . . . A . 7 TYR H . . A . 7 TYR HA . . . 7 TYR HN . . . . . 7 TYR HA . . rr_1aqa 1 111 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB2 H . . . . . . . 3.8 . . . . . A . 7 TYR H . . A . 7 TYR HB2 . . . 7 TYR HN . . . . . 7 TYR HB2 . . rr_1aqa 1 112 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB3 H . . . . . . . 4.1 . . . . . A . 7 TYR H . . A . 7 TYR HB3 . . . 7 TYR HN . . . . . 7 TYR HB3 . . rr_1aqa 1 113 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR CG C . . . . . . . 6.6 . . . . . A . 7 TYR H . . A . 7 TYR CG . . . 7 TYR HN . . . . . 7 TYR CG . . rr_1aqa 1 114 1 . . 1 1 7 7 TYR H H . . . 1 1 8 8 THR HA H . . . . . . . 4.8 . . . . . A . 7 TYR H . . A . 8 THR HA . . . 7 TYR HN . . . . . 8 THR HA . . rr_1aqa 1 115 1 . . 1 1 7 7 TYR H H . . . 1 1 12 12 ILE HG13 H . . . . . . . 6.0 . . . . . A . 7 TYR H . . A . 12 ILE HG13 . . . 7 TYR HN . . . . . 12 ILE HG13 . . rr_1aqa 1 116 1 . . 1 1 7 7 TYR H H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.1 . . . . . A . 7 TYR H . . A . 29 VAL MG2 . . . 7 TYR HN . . . . . 29 VAL QG2 . . rr_1aqa 1 117 1 OR . 1 1 7 7 TYR H H . . . 1 1 78 78 GLU HB2 H . . . . . . . 7.0 . . . . . A . 7 TYR H . . A . 78 GLU HB2 . . . 7 TYR HN . . . . . 78 GLU- QB . . rr_1aqa 1 117 2 OR . 1 1 78 78 GLU HB3 H . . . 1 1 7 7 TYR H H . . . . . . . 7.0 . . . . . A . 78 GLU HB3 . . A . 7 TYR H . . . 78 GLU- QB . . . . . 7 TYR HN . . rr_1aqa 1 118 1 OR . 1 1 7 7 TYR H H . . . 1 1 80 80 HIS HB2 H . . . . . . . 7.0 . . . . . A . 7 TYR H . . A . 80 HIS HB2 . . . 7 TYR HN . . . . . 80 HIS QB . . rr_1aqa 1 118 2 OR . 1 1 7 7 TYR H H . . . 1 1 80 80 HIS HB3 H . . . . . . . 7.0 . . . . . A . 7 TYR H . . A . 80 HIS HB3 . . . 7 TYR HN . . . . . 80 HIS QB . . rr_1aqa 1 119 1 . . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB2 H . . . . . . . 4.0 . . . . . A . 7 TYR HA . . A . 7 TYR HB2 . . . 7 TYR HA . . . . . 7 TYR HB2 . . rr_1aqa 1 120 1 . . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB3 H . . . . . . . 3.7 . . . . . A . 7 TYR HA . . A . 7 TYR HB3 . . . 7 TYR HA . . . . . 7 TYR HB3 . . rr_1aqa 1 121 1 . . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR CG C . . . . . . . 5.1 . . . . . A . 7 TYR HA . . A . 7 TYR CG . . . 7 TYR HA . . . . . 7 TYR CG . . rr_1aqa 1 122 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 THR H H . . . . . . . 4.5 . . . . . A . 7 TYR HA . . A . 8 THR H . . . 7 TYR HA . . . . . 8 THR HN . . rr_1aqa 1 123 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 THR HA H . . . . . . . 4.7 . . . . . A . 7 TYR HA . . A . 8 THR HA . . . 7 TYR HA . . . . . 8 THR HA . . rr_1aqa 1 124 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 THR MG H . . . . . . . 5.7 . . . . . A . 7 TYR HA . . A . 8 THR MG . . . 7 TYR HA . . . . . 8 THR QG2 . . rr_1aqa 1 125 1 OR . 1 1 7 7 TYR HA H . . . 1 1 11 11 GLU HG2 H . . . . . . . 7.0 . . . . . A . 7 TYR HA . . A . 11 GLU HG2 . . . 7 TYR HA . . . . . 11 GLU- QG . . rr_1aqa 1 125 2 OR . 1 1 7 7 TYR HA H . . . 1 1 11 11 GLU HG3 H . . . . . . . 7.0 . . . . . A . 7 TYR HA . . A . 11 GLU HG3 . . . 7 TYR HA . . . . . 11 GLU- QG . . rr_1aqa 1 126 1 . . 1 1 7 7 TYR HA H . . . 1 1 12 12 ILE MD H . . . . . . . 6.0 . . . . . A . 7 TYR HA . . A . 12 ILE MD . . . 7 TYR HA . . . . . 12 ILE QD1 . . rr_1aqa 1 127 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 7 7 TYR CG C . . . . . . . 6.0 . . . . . A . 7 TYR HB2 . . A . 7 TYR CG . . . 7 TYR HB2 . . . . . 7 TYR CG . . rr_1aqa 1 128 1 . . 1 1 7 7 TYR CZ C . . . 1 1 7 7 TYR HB2 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 7 TYR HB2 . . . 7 TYR CZ . . . . . 7 TYR HB2 . . rr_1aqa 1 129 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 11 11 GLU HB3 H . . . . . . . 6.0 . . . . . A . 7 TYR HB2 . . A . 11 GLU HB3 . . . 7 TYR HB2 . . . . . 11 GLU- HB3 . . rr_1aqa 1 130 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 12 12 ILE HB H . . . . . . . 6.0 . . . . . A . 7 TYR HB2 . . A . 12 ILE HB . . . 7 TYR HB2 . . . . . 12 ILE HB . . rr_1aqa 1 131 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 12 12 ILE MD H . . . . . . . 4.8 . . . . . A . 7 TYR HB2 . . A . 12 ILE MD . . . 7 TYR HB2 . . . . . 12 ILE QD1 . . rr_1aqa 1 132 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 22 22 TRP HZ3 H . . . . . . . 6.0 . . . . . A . 7 TYR HB2 . . A . 22 TRP HZ3 . . . 7 TYR HB2 . . . . . 22 TRP HZ3 . . rr_1aqa 1 133 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 5.3 . . . . . A . 7 TYR HB2 . . A . 29 VAL MG2 . . . 7 TYR HB2 . . . . . 29 VAL QG2 . . rr_1aqa 1 134 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 79 79 LEU MD1 H . . . . . . . 7.0 . . . . . A . 7 TYR HB2 . . A . 79 LEU MD1 . . . 7 TYR HB2 . . . . . 79 LEU QD1 . . rr_1aqa 1 135 1 . . 1 1 7 7 TYR HB2 H . . . 1 1 79 79 LEU MD2 H . . . . . . . 7.0 . . . . . A . 7 TYR HB2 . . A . 79 LEU MD2 . . . 7 TYR HB2 . . . . . 79 LEU QD2 . . rr_1aqa 1 136 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 7 7 TYR CG C . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 7 TYR CG . . . 7 TYR HB3 . . . . . 7 TYR CG . . rr_1aqa 1 137 1 . . 1 1 7 7 TYR CZ C . . . 1 1 7 7 TYR HB3 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 7 TYR HB3 . . . 7 TYR CZ . . . . . 7 TYR HB3 . . rr_1aqa 1 138 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 11 11 GLU HB3 H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 11 GLU HB3 . . . 7 TYR HB3 . . . . . 11 GLU- HB3 . . rr_1aqa 1 139 1 OR . 1 1 7 7 TYR HB3 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 6.7 . . . . . A . 7 TYR HB3 . . A . 11 GLU HG2 . . . 7 TYR HB3 . . . . . 11 GLU- QG . . rr_1aqa 1 139 2 OR . 1 1 7 7 TYR HB3 H . . . 1 1 11 11 GLU HG3 H . . . . . . . 6.7 . . . . . A . 7 TYR HB3 . . A . 11 GLU HG3 . . . 7 TYR HB3 . . . . . 11 GLU- QG . . rr_1aqa 1 140 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 12 12 ILE H H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 12 ILE H . . . 7 TYR HB3 . . . . . 12 ILE HN . . rr_1aqa 1 141 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 12 12 ILE HA H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 12 ILE HA . . . 7 TYR HB3 . . . . . 12 ILE HA . . rr_1aqa 1 142 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 12 12 ILE MD H . . . . . . . 5.7 . . . . . A . 7 TYR HB3 . . A . 12 ILE MD . . . 7 TYR HB3 . . . . . 12 ILE QD1 . . rr_1aqa 1 143 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 22 22 TRP HE3 H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 22 TRP HE3 . . . 7 TYR HB3 . . . . . 22 TRP HE3 . . rr_1aqa 1 144 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 22 22 TRP HZ3 H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 22 TRP HZ3 . . . 7 TYR HB3 . . . . . 22 TRP HZ3 . . rr_1aqa 1 145 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 22 22 TRP HH2 H . . . . . . . 6.0 . . . . . A . 7 TYR HB3 . . A . 22 TRP HH2 . . . 7 TYR HB3 . . . . . 22 TRP HH2 . . rr_1aqa 1 146 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 5.3 . . . . . A . 7 TYR HB3 . . A . 29 VAL MG1 . . . 7 TYR HB3 . . . . . 29 VAL QG1 . . rr_1aqa 1 147 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 79 79 LEU MD1 H . . . . . . . 5.0 . . . . . A . 7 TYR HB3 . . A . 79 LEU MD1 . . . 7 TYR HB3 . . . . . 79 LEU QD1 . . rr_1aqa 1 148 1 . . 1 1 7 7 TYR HB3 H . . . 1 1 79 79 LEU MD2 H . . . . . . . 6.8 . . . . . A . 7 TYR HB3 . . A . 79 LEU MD2 . . . 7 TYR HB3 . . . . . 79 LEU QD2 . . rr_1aqa 1 149 1 . . 1 1 80 80 HIS H H . . . 1 1 7 7 TYR HB3 H . . . . . . . 6.0 . . . . . A . 80 HIS H . . A . 7 TYR HB3 . . . 80 HIS HN . . . . . 7 TYR HB3 . . rr_1aqa 1 150 1 . . 1 1 7 7 TYR CZ C . . . 1 1 7 7 TYR CG C . . . . . . . 8.2 . . . . . A . 7 TYR CZ . . A . 7 TYR CG . . . 7 TYR CZ . . . . . 7 TYR CG . . rr_1aqa 1 151 1 . . 1 1 7 7 TYR CG C . . . 1 1 8 8 THR H H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 8 THR H . . . 7 TYR CG . . . . . 8 THR HN . . rr_1aqa 1 152 1 . . 1 1 7 7 TYR CG C . . . 1 1 11 11 GLU HB3 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 11 GLU HB3 . . . 7 TYR CG . . . . . 11 GLU- HB3 . . rr_1aqa 1 153 1 OR . 1 1 7 7 TYR CG C . . . 1 1 11 11 GLU HG2 H . . . . . . . 9.0 . . . . . A . 7 TYR CG . . A . 11 GLU HG2 . . . 7 TYR CG . . . . . 11 GLU- QG . . rr_1aqa 1 153 2 OR . 1 1 7 7 TYR CG C . . . 1 1 11 11 GLU HG3 H . . . . . . . 9.0 . . . . . A . 7 TYR CG . . A . 11 GLU HG3 . . . 7 TYR CG . . . . . 11 GLU- QG . . rr_1aqa 1 154 1 . . 1 1 7 7 TYR CG C . . . 1 1 12 12 ILE HG12 H . . . . . . . 7.7 . . . . . A . 7 TYR CG . . A . 12 ILE HG12 . . . 7 TYR CG . . . . . 12 ILE HG12 . . rr_1aqa 1 155 1 . . 1 1 7 7 TYR CG C . . . 1 1 22 22 TRP HE3 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 22 TRP HE3 . . . 7 TYR CG . . . . . 22 TRP HE3 . . rr_1aqa 1 156 1 . . 1 1 7 7 TYR CG C . . . 1 1 22 22 TRP HZ3 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 22 TRP HZ3 . . . 7 TYR CG . . . . . 22 TRP HZ3 . . rr_1aqa 1 157 1 . . 1 1 7 7 TYR CG C . . . 1 1 22 22 TRP HH2 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 22 TRP HH2 . . . 7 TYR CG . . . . . 22 TRP HH2 . . rr_1aqa 1 158 1 . . 1 1 7 7 TYR CG C . . . 1 1 29 29 VAL HB H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 29 VAL HB . . . 7 TYR CG . . . . . 29 VAL HB . . rr_1aqa 1 159 1 . . 1 1 7 7 TYR CG C . . . 1 1 29 29 VAL MG1 H . . . . . . . 7.3 . . . . . A . 7 TYR CG . . A . 29 VAL MG1 . . . 7 TYR CG . . . . . 29 VAL QG1 . . rr_1aqa 1 160 1 . . 1 1 7 7 TYR CG C . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.4 . . . . . A . 7 TYR CG . . A . 29 VAL MG2 . . . 7 TYR CG . . . . . 29 VAL QG2 . . rr_1aqa 1 161 1 . . 1 1 7 7 TYR CG C . . . 1 1 76 76 ILE MG H . . . . . . . 9.0 . . . . . A . 7 TYR CG . . A . 76 ILE MG . . . 7 TYR CG . . . . . 76 ILE QG2 . . rr_1aqa 1 162 1 . . 1 1 7 7 TYR CG C . . . 1 1 76 76 ILE HG12 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 76 ILE HG12 . . . 7 TYR CG . . . . . 76 ILE HG12 . . rr_1aqa 1 163 1 . . 1 1 7 7 TYR CG C . . . 1 1 76 76 ILE HG13 H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 76 ILE HG13 . . . 7 TYR CG . . . . . 76 ILE HG13 . . rr_1aqa 1 164 1 . . 1 1 7 7 TYR CG C . . . 1 1 76 76 ILE MD H . . . . . . . 9.0 . . . . . A . 7 TYR CG . . A . 76 ILE MD . . . 7 TYR CG . . . . . 76 ILE QD1 . . rr_1aqa 1 165 1 . . 1 1 7 7 TYR CG C . . . 1 1 77 77 GLY H H . . . . . . . 8.0 . . . . . A . 7 TYR CG . . A . 77 GLY H . . . 7 TYR CG . . . . . 77 GLY HN . . rr_1aqa 1 166 1 . . 1 1 77 77 GLY HA3 H . . . 1 1 7 7 TYR CG C . . . . . . . 8.0 . . . . . A . 77 GLY HA3 . . A . 7 TYR CG . . . 77 GLY HA2 . . . . . 7 TYR CG . . rr_1aqa 1 167 1 . . 1 1 78 78 GLU HA H . . . 1 1 7 7 TYR CG C . . . . . . . 8.0 . . . . . A . 78 GLU HA . . A . 7 TYR CG . . . 78 GLU- HA . . . . . 7 TYR CG . . rr_1aqa 1 168 1 . . 1 1 7 7 TYR CZ C . . . 1 1 22 22 TRP HZ3 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 22 TRP HZ3 . . . 7 TYR CZ . . . . . 22 TRP HZ3 . . rr_1aqa 1 169 1 . . 1 1 7 7 TYR CZ C . . . 1 1 22 22 TRP HH2 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 22 TRP HH2 . . . 7 TYR CZ . . . . . 22 TRP HH2 . . rr_1aqa 1 170 1 . . 1 1 7 7 TYR CZ C . . . 1 1 29 29 VAL HB H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 29 VAL HB . . . 7 TYR CZ . . . . . 29 VAL HB . . rr_1aqa 1 171 1 . . 1 1 7 7 TYR CZ C . . . 1 1 29 29 VAL MG1 H . . . . . . . 8.4 . . . . . A . 7 TYR CZ . . A . 29 VAL MG1 . . . 7 TYR CZ . . . . . 29 VAL QG1 . . rr_1aqa 1 172 1 . . 1 1 7 7 TYR CZ C . . . 1 1 29 29 VAL MG2 H . . . . . . . 8.8 . . . . . A . 7 TYR CZ . . A . 29 VAL MG2 . . . 7 TYR CZ . . . . . 29 VAL QG2 . . rr_1aqa 1 173 1 . . 1 1 7 7 TYR CZ C . . . 1 1 76 76 ILE HB H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 76 ILE HB . . . 7 TYR CZ . . . . . 76 ILE HB . . rr_1aqa 1 174 1 . . 1 1 7 7 TYR CZ C . . . 1 1 76 76 ILE HG12 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 76 ILE HG12 . . . 7 TYR CZ . . . . . 76 ILE HG12 . . rr_1aqa 1 175 1 . . 1 1 7 7 TYR CZ C . . . 1 1 76 76 ILE HG13 H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 76 ILE HG13 . . . 7 TYR CZ . . . . . 76 ILE HG13 . . rr_1aqa 1 176 1 . . 1 1 7 7 TYR CZ C . . . 1 1 76 76 ILE MD H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 76 ILE MD . . . 7 TYR CZ . . . . . 76 ILE QD1 . . rr_1aqa 1 177 1 . . 1 1 7 7 TYR CZ C . . . 1 1 77 77 GLY H H . . . . . . . 8.0 . . . . . A . 7 TYR CZ . . A . 77 GLY H . . . 7 TYR CZ . . . . . 77 GLY HN . . rr_1aqa 1 178 1 . . 1 1 77 77 GLY HA3 H . . . 1 1 7 7 TYR CZ C . . . . . . . 8.0 . . . . . A . 77 GLY HA3 . . A . 7 TYR CZ . . . 77 GLY HA2 . . . . . 7 TYR CZ . . rr_1aqa 1 179 1 . . 1 1 78 78 GLU H H . . . 1 1 7 7 TYR CZ C . . . . . . . 8.0 . . . . . A . 78 GLU H . . A . 7 TYR CZ . . . 78 GLU- HN . . . . . 7 TYR CZ . . rr_1aqa 1 180 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR H H . . . . . . . 5.4 . . . . . A . 8 THR HA . . A . 8 THR H . . . 8 THR HA . . . . . 8 THR HN . . rr_1aqa 1 181 1 . . 1 1 8 8 THR H H . . . 1 1 8 8 THR MG H . . . . . . . 5.6 . . . . . A . 8 THR H . . A . 8 THR MG . . . 8 THR HN . . . . . 8 THR QG2 . . rr_1aqa 1 182 1 . . 1 1 8 8 THR H H . . . 1 1 11 11 GLU H H . . . . . . . 4.7 . . . . . A . 8 THR H . . A . 11 GLU H . . . 8 THR HN . . . . . 11 GLU- HN . . rr_1aqa 1 183 1 . . 1 1 8 8 THR H H . . . 1 1 11 11 GLU HB3 H . . . . . . . 5.7 . . . . . A . 8 THR H . . A . 11 GLU HB3 . . . 8 THR HN . . . . . 11 GLU- HB3 . . rr_1aqa 1 184 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR HB H . . . . . . . 3.5 . . . . . A . 8 THR HA . . A . 8 THR HB . . . 8 THR HA . . . . . 8 THR HB . . rr_1aqa 1 185 1 . . 1 1 8 8 THR HA H . . . 1 1 8 8 THR MG H . . . . . . . 5.5 . . . . . A . 8 THR HA . . A . 8 THR MG . . . 8 THR HA . . . . . 8 THR QG2 . . rr_1aqa 1 186 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 LEU H H . . . . . . . 5.6 . . . . . A . 8 THR HA . . A . 9 LEU H . . . 8 THR HA . . . . . 9 LEU HN . . rr_1aqa 1 187 1 . . 1 1 8 8 THR HA H . . . 1 1 9 9 LEU HA H . . . . . . . 4.9 . . . . . A . 8 THR HA . . A . 9 LEU HA . . . 8 THR HA . . . . . 9 LEU HA . . rr_1aqa 1 188 1 . . 1 1 8 8 THR HA H . . . 1 1 11 11 GLU H H . . . . . . . 5.9 . . . . . A . 8 THR HA . . A . 11 GLU H . . . 8 THR HA . . . . . 11 GLU- HN . . rr_1aqa 1 189 1 . . 1 1 8 8 THR HA H . . . 1 1 79 79 LEU MD2 H . . . . . . . 5.8 . . . . . A . 8 THR HA . . A . 79 LEU MD2 . . . 8 THR HA . . . . . 79 LEU QD2 . . rr_1aqa 1 190 1 . . 1 1 8 8 THR HA H . . . 1 1 83 83 ASP H H . . . . . . . 5.1 . . . . . A . 8 THR HA . . A . 83 ASP H . . . 8 THR HA . . . . . 83 ASP- HN . . rr_1aqa 1 191 1 . . 1 1 8 8 THR MG H . . . 1 1 8 8 THR HB H . . . . . . . 3.9 . . . . . A . 8 THR MG . . A . 8 THR HB . . . 8 THR QG2 . . . . . 8 THR HB . . rr_1aqa 1 192 1 . . 1 1 8 8 THR HB H . . . 1 1 9 9 LEU H H . . . . . . . 3.8 . . . . . A . 8 THR HB . . A . 9 LEU H . . . 8 THR HB . . . . . 9 LEU HN . . rr_1aqa 1 193 1 OR . 1 1 8 8 THR HB H . . . 1 1 9 9 LEU HB2 H . . . . . . . 7.0 . . . . . A . 8 THR HB . . A . 9 LEU HB2 . . . 8 THR HB . . . . . 9 LEU QB . . rr_1aqa 1 193 2 OR . 1 1 8 8 THR HB H . . . 1 1 9 9 LEU HB3 H . . . . . . . 7.0 . . . . . A . 8 THR HB . . A . 9 LEU HB3 . . . 8 THR HB . . . . . 9 LEU QB . . rr_1aqa 1 194 1 . . 1 1 8 8 THR HB H . . . 1 1 10 10 GLU H H . . . . . . . 3.7 . . . . . A . 8 THR HB . . A . 10 GLU H . . . 8 THR HB . . . . . 10 GLU- HN . . rr_1aqa 1 195 1 . . 1 1 8 8 THR HB H . . . 1 1 10 10 GLU HA H . . . . . . . 5.2 . . . . . A . 8 THR HB . . A . 10 GLU HA . . . 8 THR HB . . . . . 10 GLU- HA . . rr_1aqa 1 196 1 . . 1 1 8 8 THR HB H . . . 1 1 10 10 GLU HB2 H . . . . . . . 6.0 . . . . . A . 8 THR HB . . A . 10 GLU HB2 . . . 8 THR HB . . . . . 10 GLU- HB2 . . rr_1aqa 1 197 1 . . 1 1 8 8 THR HB H . . . 1 1 10 10 GLU HB3 H . . . . . . . 6.0 . . . . . A . 8 THR HB . . A . 10 GLU HB3 . . . 8 THR HB . . . . . 10 GLU- HB3 . . rr_1aqa 1 198 1 . . 1 1 11 11 GLU H H . . . 1 1 8 8 THR HB H . . . . . . . 5.2 . . . . . A . 11 GLU H . . A . 8 THR HB . . . 11 GLU- HN . . . . . 8 THR HB . . rr_1aqa 1 199 1 . . 1 1 8 8 THR MG H . . . 1 1 9 9 LEU H H . . . . . . . 4.6 . . . . . A . 8 THR MG . . A . 9 LEU H . . . 8 THR QG2 . . . . . 9 LEU HN . . rr_1aqa 1 200 1 . . 1 1 8 8 THR MG H . . . 1 1 10 10 GLU H H . . . . . . . 6.3 . . . . . A . 8 THR MG . . A . 10 GLU H . . . 8 THR QG2 . . . . . 10 GLU- HN . . rr_1aqa 1 201 1 . . 1 1 8 8 THR MG H . . . 1 1 11 11 GLU H H . . . . . . . 7.0 . . . . . A . 8 THR MG . . A . 11 GLU H . . . 8 THR QG2 . . . . . 11 GLU- HN . . rr_1aqa 1 202 1 OR . 1 1 8 8 THR MG H . . . 1 1 80 80 HIS HB2 H . . . . . . . 8.0 . . . . . A . 8 THR MG . . A . 80 HIS HB2 . . . 8 THR QG2 . . . . . 80 HIS QB . . rr_1aqa 1 202 2 OR . 1 1 80 80 HIS HB3 H . . . 1 1 8 8 THR MG H . . . . . . . 8.0 . . . . . A . 80 HIS HB3 . . A . 8 THR MG . . . 80 HIS QB . . . . . 8 THR QG2 . . rr_1aqa 1 203 1 . . 1 1 80 80 HIS HD2 H . . . 1 1 8 8 THR MG H . . . . . . . 5.8 . . . . . A . 80 HIS HD2 . . A . 8 THR MG . . . 80 HIS HD2 . . . . . 8 THR QG2 . . rr_1aqa 1 204 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HA H . . . . . . . 3.4 . . . . . A . 9 LEU H . . A . 9 LEU HA . . . 9 LEU HN . . . . . 9 LEU HA . . rr_1aqa 1 205 1 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 4.2 . . . . . A . 9 LEU H . . A . 9 LEU HB2 . . . 9 LEU HN . . . . . 9 LEU QB . . rr_1aqa 1 205 2 OR . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HB3 H . . . . . . . 4.2 . . . . . A . 9 LEU H . . A . 9 LEU HB3 . . . 9 LEU HN . . . . . 9 LEU QB . . rr_1aqa 1 206 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU HG H . . . . . . . 4.1 . . . . . A . 9 LEU H . . A . 9 LEU HG . . . 9 LEU HN . . . . . 9 LEU HG . . rr_1aqa 1 207 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.5 . . . . . A . 9 LEU H . . A . 9 LEU MD1 . . . 9 LEU HN . . . . . 9 LEU QD1 . . rr_1aqa 1 208 1 . . 1 1 9 9 LEU H H . . . 1 1 9 9 LEU MD2 H . . . . . . . 5.9 . . . . . A . 9 LEU H . . A . 9 LEU MD2 . . . 9 LEU HN . . . . . 9 LEU QD2 . . rr_1aqa 1 209 1 . . 1 1 9 9 LEU H H . . . 1 1 10 10 GLU H H . . . . . . . 3.7 . . . . . A . 9 LEU H . . A . 10 GLU H . . . 9 LEU HN . . . . . 10 GLU- HN . . rr_1aqa 1 210 1 . . 1 1 11 11 GLU H H . . . 1 1 9 9 LEU H H . . . . . . . 5.4 . . . . . A . 11 GLU H . . A . 9 LEU H . . . 11 GLU- HN . . . . . 9 LEU HN . . rr_1aqa 1 211 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 9 9 LEU H H . . . . . . . 5.3 . . . . . A . 79 LEU MD2 . . A . 9 LEU H . . . 79 LEU QD2 . . . . . 9 LEU HN . . rr_1aqa 1 212 1 OR . 1 1 9 9 LEU H H . . . 1 1 80 80 HIS HB2 H . . . . . . . 7.0 . . . . . A . 9 LEU H . . A . 80 HIS HB2 . . . 9 LEU HN . . . . . 80 HIS QB . . rr_1aqa 1 212 2 OR . 1 1 80 80 HIS HB3 H . . . 1 1 9 9 LEU H H . . . . . . . 7.0 . . . . . A . 80 HIS HB3 . . A . 9 LEU H . . . 80 HIS QB . . . . . 9 LEU HN . . rr_1aqa 1 213 1 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB2 H . . . . . . . 4.5 . . . . . A . 9 LEU HA . . A . 9 LEU HB2 . . . 9 LEU HA . . . . . 9 LEU QB . . rr_1aqa 1 213 2 OR . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HB3 H . . . . . . . 4.5 . . . . . A . 9 LEU HA . . A . 9 LEU HB3 . . . 9 LEU HA . . . . . 9 LEU QB . . rr_1aqa 1 214 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU HG H . . . . . . . 3.5 . . . . . A . 9 LEU HA . . A . 9 LEU HG . . . 9 LEU HA . . . . . 9 LEU HG . . rr_1aqa 1 215 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD1 H . . . . . . . 4.1 . . . . . A . 9 LEU HA . . A . 9 LEU MD1 . . . 9 LEU HA . . . . . 9 LEU QD1 . . rr_1aqa 1 216 1 . . 1 1 9 9 LEU HA H . . . 1 1 9 9 LEU MD2 H . . . . . . . 4.9 . . . . . A . 9 LEU HA . . A . 9 LEU MD2 . . . 9 LEU HA . . . . . 9 LEU QD2 . . rr_1aqa 1 217 1 . . 1 1 9 9 LEU HA H . . . 1 1 10 10 GLU H H . . . . . . . 4.5 . . . . . A . 9 LEU HA . . A . 10 GLU H . . . 9 LEU HA . . . . . 10 GLU- HN . . rr_1aqa 1 218 1 . . 1 1 11 11 GLU H H . . . 1 1 9 9 LEU HA H . . . . . . . 4.7 . . . . . A . 11 GLU H . . A . 9 LEU HA . . . 11 GLU- HN . . . . . 9 LEU HA . . rr_1aqa 1 219 1 . . 1 1 12 12 ILE H H . . . 1 1 9 9 LEU HA H . . . . . . . 4.3 . . . . . A . 12 ILE H . . A . 9 LEU HA . . . 12 ILE HN . . . . . 9 LEU HA . . rr_1aqa 1 220 1 . . 1 1 12 12 ILE HB H . . . 1 1 9 9 LEU HA H . . . . . . . 3.6 . . . . . A . 12 ILE HB . . A . 9 LEU HA . . . 12 ILE HB . . . . . 9 LEU HA . . rr_1aqa 1 221 1 . . 1 1 12 12 ILE HG13 H . . . 1 1 9 9 LEU HA H . . . . . . . 4.8 . . . . . A . 12 ILE HG13 . . A . 9 LEU HA . . . 12 ILE HG13 . . . . . 9 LEU HA . . rr_1aqa 1 222 1 . . 1 1 9 9 LEU HA H . . . 1 1 13 13 GLN H H . . . . . . . 5.1 . . . . . A . 9 LEU HA . . A . 13 GLN H . . . 9 LEU HA . . . . . 13 GLN HN . . rr_1aqa 1 223 1 . . 1 1 9 9 LEU HA H . . . 1 1 79 79 LEU HG H . . . . . . . 6.0 . . . . . A . 9 LEU HA . . A . 79 LEU HG . . . 9 LEU HA . . . . . 79 LEU HG . . rr_1aqa 1 224 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 9 9 LEU HA H . . . . . . . 6.0 . . . . . A . 79 LEU MD1 . . A . 9 LEU HA . . . 79 LEU QD1 . . . . . 9 LEU HA . . rr_1aqa 1 225 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 9 9 LEU HA H . . . . . . . 5.2 . . . . . A . 79 LEU MD2 . . A . 9 LEU HA . . . 79 LEU QD2 . . . . . 9 LEU HA . . rr_1aqa 1 226 1 OR . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU HB2 H . . . . . . . 4.2 . . . . . A . 9 LEU HG . . A . 9 LEU HB2 . . . 9 LEU HG . . . . . 9 LEU QB . . rr_1aqa 1 226 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU HG H . . . . . . . 4.2 . . . . . A . 9 LEU HB3 . . A . 9 LEU HG . . . 9 LEU QB . . . . . 9 LEU HG . . rr_1aqa 1 227 1 OR . 1 1 9 9 LEU MD1 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 5.0 . . . . . A . 9 LEU MD1 . . A . 9 LEU HB2 . . . 9 LEU QD1 . . . . . 9 LEU QB . . rr_1aqa 1 227 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD1 H . . . . . . . 5.0 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD1 . . . 9 LEU QB . . . . . 9 LEU QD1 . . rr_1aqa 1 228 1 OR . 1 1 9 9 LEU MD2 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 6.0 . . . . . A . 9 LEU MD2 . . A . 9 LEU HB2 . . . 9 LEU QD2 . . . . . 9 LEU QB . . rr_1aqa 1 228 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 9 9 LEU MD2 H . . . . . . . 6.0 . . . . . A . 9 LEU HB3 . . A . 9 LEU MD2 . . . 9 LEU QB . . . . . 9 LEU QD2 . . rr_1aqa 1 229 1 OR . 1 1 10 10 GLU H H . . . 1 1 9 9 LEU HB2 H . . . . . . . 5.1 . . . . . A . 10 GLU H . . A . 9 LEU HB2 . . . 10 GLU- HN . . . . . 9 LEU QB . . rr_1aqa 1 229 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 10 10 GLU H H . . . . . . . 5.1 . . . . . A . 9 LEU HB3 . . A . 10 GLU H . . . 9 LEU QB . . . . . 10 GLU- HN . . rr_1aqa 1 230 1 OR . 1 1 79 79 LEU HG H . . . 1 1 9 9 LEU HB2 H . . . . . . . 6.8 . . . . . A . 79 LEU HG . . A . 9 LEU HB2 . . . 79 LEU HG . . . . . 9 LEU QB . . rr_1aqa 1 230 2 OR . 1 1 9 9 LEU HB3 H . . . 1 1 79 79 LEU HG H . . . . . . . 6.8 . . . . . A . 9 LEU HB3 . . A . 79 LEU HG . . . 9 LEU QB . . . . . 79 LEU HG . . rr_1aqa 1 231 1 OR . 1 1 79 79 LEU MD2 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 6.8 . . . . . A . 79 LEU MD2 . . A . 9 LEU HB2 . . . 79 LEU QD2 . . . . . 9 LEU QB . . rr_1aqa 1 231 2 OR . 1 1 79 79 LEU MD2 H . . . 1 1 9 9 LEU HB3 H . . . . . . . 6.8 . . . . . A . 79 LEU MD2 . . A . 9 LEU HB3 . . . 79 LEU QD2 . . . . . 9 LEU QB . . rr_1aqa 1 232 1 OR . 1 1 9 9 LEU HB3 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 8.0 . . . . . A . 9 LEU HB3 . . A . 83 ASP HB2 . . . 9 LEU QB . . . . . 83 ASP- QB . . rr_1aqa 1 232 2 OR . 1 1 9 9 LEU HB2 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 8.0 . . . . . A . 9 LEU HB2 . . A . 83 ASP HB2 . . . 9 LEU QB . . . . . 83 ASP- QB . . rr_1aqa 1 232 3 OR . 1 1 83 83 ASP HB3 H . . . 1 1 9 9 LEU HB2 H . . . . . . . 8.0 . . . . . A . 83 ASP HB3 . . A . 9 LEU HB2 . . . 83 ASP- QB . . . . . 9 LEU QB . . rr_1aqa 1 232 4 OR . 1 1 9 9 LEU HB3 H . . . 1 1 83 83 ASP HB3 H . . . . . . . 8.0 . . . . . A . 9 LEU HB3 . . A . 83 ASP HB3 . . . 9 LEU QB . . . . . 83 ASP- QB . . rr_1aqa 1 233 1 . . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU MD1 H . . . . . . . 3.4 . . . . . A . 9 LEU HG . . A . 9 LEU MD1 . . . 9 LEU HG . . . . . 9 LEU QD1 . . rr_1aqa 1 234 1 . . 1 1 9 9 LEU HG H . . . 1 1 9 9 LEU MD2 H . . . . . . . 3.4 . . . . . A . 9 LEU HG . . A . 9 LEU MD2 . . . 9 LEU HG . . . . . 9 LEU QD2 . . rr_1aqa 1 235 1 . . 1 1 10 10 GLU H H . . . 1 1 9 9 LEU HG H . . . . . . . 6.0 . . . . . A . 10 GLU H . . A . 9 LEU HG . . . 10 GLU- HN . . . . . 9 LEU HG . . rr_1aqa 1 236 1 . . 1 1 10 10 GLU HA H . . . 1 1 9 9 LEU HG H . . . . . . . 6.0 . . . . . A . 10 GLU HA . . A . 9 LEU HG . . . 10 GLU- HA . . . . . 9 LEU HG . . rr_1aqa 1 237 1 . . 1 1 12 12 ILE HB H . . . 1 1 9 9 LEU HG H . . . . . . . 5.2 . . . . . A . 12 ILE HB . . A . 9 LEU HG . . . 12 ILE HB . . . . . 9 LEU HG . . rr_1aqa 1 238 1 . . 1 1 9 9 LEU HG H . . . 1 1 13 13 GLN HB2 H . . . . . . . 5.5 . . . . . A . 9 LEU HG . . A . 13 GLN HB2 . . . 9 LEU HG . . . . . 13 GLN HB2 . . rr_1aqa 1 239 1 OR . 1 1 9 9 LEU HG H . . . 1 1 13 13 GLN HG2 H . . . . . . . 7.0 . . . . . A . 9 LEU HG . . A . 13 GLN HG2 . . . 9 LEU HG . . . . . 13 GLN QG . . rr_1aqa 1 239 2 OR . 1 1 9 9 LEU HG H . . . 1 1 13 13 GLN HG3 H . . . . . . . 7.0 . . . . . A . 9 LEU HG . . A . 13 GLN HG3 . . . 9 LEU HG . . . . . 13 GLN QG . . rr_1aqa 1 240 1 . . 1 1 12 12 ILE H H . . . 1 1 9 9 LEU MD1 H . . . . . . . 7.0 . . . . . A . 12 ILE H . . A . 9 LEU MD1 . . . 12 ILE HN . . . . . 9 LEU QD1 . . rr_1aqa 1 241 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 13 13 GLN H H . . . . . . . 7.0 . . . . . A . 9 LEU MD1 . . A . 13 GLN H . . . 9 LEU QD1 . . . . . 13 GLN HN . . rr_1aqa 1 242 1 OR . 1 1 9 9 LEU MD1 H . . . 1 1 13 13 GLN HG2 H . . . . . . . 6.3 . . . . . A . 9 LEU MD1 . . A . 13 GLN HG2 . . . 9 LEU QD1 . . . . . 13 GLN QG . . rr_1aqa 1 242 2 OR . 1 1 9 9 LEU MD1 H . . . 1 1 13 13 GLN HG3 H . . . . . . . 6.3 . . . . . A . 9 LEU MD1 . . A . 13 GLN HG3 . . . 9 LEU QD1 . . . . . 13 GLN QG . . rr_1aqa 1 243 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 79 79 LEU HG H . . . . . . . 5.3 . . . . . A . 9 LEU MD1 . . A . 79 LEU HG . . . 9 LEU QD1 . . . . . 79 LEU HG . . rr_1aqa 1 244 1 OR . 1 1 9 9 LEU MD1 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 8.0 . . . . . A . 9 LEU MD1 . . A . 83 ASP HB2 . . . 9 LEU QD1 . . . . . 83 ASP- QB . . rr_1aqa 1 244 2 OR . 1 1 9 9 LEU MD1 H . . . 1 1 83 83 ASP HB3 H . . . . . . . 8.0 . . . . . A . 9 LEU MD1 . . A . 83 ASP HB3 . . . 9 LEU QD1 . . . . . 83 ASP- QB . . rr_1aqa 1 245 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 86 86 LYS HA H . . . . . . . 7.0 . . . . . A . 9 LEU MD1 . . A . 86 LYS HA . . . 9 LEU QD1 . . . . . 86 LYS+ HA . . rr_1aqa 1 246 1 . . 1 1 9 9 LEU MD1 H . . . 1 1 86 86 LYS HB3 H . . . . . . . 5.0 . . . . . A . 9 LEU MD1 . . A . 86 LYS HB3 . . . 9 LEU QD1 . . . . . 86 LYS+ HB3 . . rr_1aqa 1 247 1 OR . 1 1 9 9 LEU MD1 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 8.0 . . . . . A . 9 LEU MD1 . . A . 86 LYS HE2 . . . 9 LEU QD1 . . . . . 86 LYS+ QE . . rr_1aqa 1 247 2 OR . 1 1 9 9 LEU MD1 H . . . 1 1 86 86 LYS HE3 H . . . . . . . 8.0 . . . . . A . 9 LEU MD1 . . A . 86 LYS HE3 . . . 9 LEU QD1 . . . . . 86 LYS+ QE . . rr_1aqa 1 248 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 13 13 GLN H H . . . . . . . 5.4 . . . . . A . 9 LEU MD2 . . A . 13 GLN H . . . 9 LEU QD2 . . . . . 13 GLN HN . . rr_1aqa 1 249 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 83 83 ASP HA H . . . . . . . 7.0 . . . . . A . 9 LEU MD2 . . A . 83 ASP HA . . . 9 LEU QD2 . . . . . 83 ASP- HA . . rr_1aqa 1 250 1 OR . 1 1 9 9 LEU MD2 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 8.0 . . . . . A . 9 LEU MD2 . . A . 86 LYS HE2 . . . 9 LEU QD2 . . . . . 86 LYS+ QE . . rr_1aqa 1 250 2 OR . 1 1 9 9 LEU MD2 H . . . 1 1 86 86 LYS HE3 H . . . . . . . 8.0 . . . . . A . 9 LEU MD2 . . A . 86 LYS HE3 . . . 9 LEU QD2 . . . . . 86 LYS+ QE . . rr_1aqa 1 251 1 . . 1 1 9 9 LEU MD2 H . . . 1 1 87 87 ILE MD H . . . . . . . 5.3 . . . . . A . 9 LEU MD2 . . A . 87 ILE MD . . . 9 LEU QD2 . . . . . 87 ILE QD1 . . rr_1aqa 1 252 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HA H . . . . . . . 3.3 . . . . . A . 10 GLU H . . A . 10 GLU HA . . . 10 GLU- HN . . . . . 10 GLU- HA . . rr_1aqa 1 253 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB2 H . . . . . . . 3.1 . . . . . A . 10 GLU H . . A . 10 GLU HB2 . . . 10 GLU- HN . . . . . 10 GLU- HB2 . . rr_1aqa 1 254 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB3 H . . . . . . . 3.3 . . . . . A . 10 GLU H . . A . 10 GLU HB3 . . . 10 GLU- HN . . . . . 10 GLU- HB3 . . rr_1aqa 1 255 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 GLU H H . . . . . . . 3.6 . . . . . A . 11 GLU H . . A . 10 GLU H . . . 11 GLU- HN . . . . . 10 GLU- HN . . rr_1aqa 1 256 1 . . 1 1 12 12 ILE H H . . . 1 1 10 10 GLU H H . . . . . . . 4.8 . . . . . A . 12 ILE H . . A . 10 GLU H . . . 12 ILE HN . . . . . 10 GLU- HN . . rr_1aqa 1 257 1 . . 1 1 10 10 GLU H H . . . 1 1 13 13 GLN H H . . . . . . . 5.5 . . . . . A . 10 GLU H . . A . 13 GLN H . . . 10 GLU- HN . . . . . 13 GLN HN . . rr_1aqa 1 258 1 . . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HB2 H . . . . . . . 3.0 . . . . . A . 10 GLU HA . . A . 10 GLU HB2 . . . 10 GLU- HA . . . . . 10 GLU- HB2 . . rr_1aqa 1 259 1 . . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HB3 H . . . . . . . 3.2 . . . . . A . 10 GLU HA . . A . 10 GLU HB3 . . . 10 GLU- HA . . . . . 10 GLU- HB3 . . rr_1aqa 1 260 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 GLU HA H . . . . . . . 4.2 . . . . . A . 11 GLU H . . A . 10 GLU HA . . . 11 GLU- HN . . . . . 10 GLU- HA . . rr_1aqa 1 261 1 . . 1 1 10 10 GLU HA H . . . 1 1 13 13 GLN H H . . . . . . . 4.6 . . . . . A . 10 GLU HA . . A . 13 GLN H . . . 10 GLU- HA . . . . . 13 GLN HN . . rr_1aqa 1 262 1 . . 1 1 10 10 GLU HA H . . . 1 1 13 13 GLN HB2 H . . . . . . . 4.1 . . . . . A . 10 GLU HA . . A . 13 GLN HB2 . . . 10 GLU- HA . . . . . 13 GLN HB2 . . rr_1aqa 1 263 1 . . 1 1 10 10 GLU HA H . . . 1 1 13 13 GLN HB3 H . . . . . . . 5.3 . . . . . A . 10 GLU HA . . A . 13 GLN HB3 . . . 10 GLU- HA . . . . . 13 GLN HB3 . . rr_1aqa 1 264 1 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 GLN HG2 H . . . . . . . 7.0 . . . . . A . 10 GLU HA . . A . 13 GLN HG2 . . . 10 GLU- HA . . . . . 13 GLN QG . . rr_1aqa 1 264 2 OR . 1 1 10 10 GLU HA H . . . 1 1 13 13 GLN HG3 H . . . . . . . 7.0 . . . . . A . 10 GLU HA . . A . 13 GLN HG3 . . . 10 GLU- HA . . . . . 13 GLN QG . . rr_1aqa 1 265 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 GLU HB2 H . . . . . . . 3.8 . . . . . A . 11 GLU H . . A . 10 GLU HB2 . . . 11 GLU- HN . . . . . 10 GLU- HB2 . . rr_1aqa 1 266 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 GLU HB3 H . . . . . . . 3.5 . . . . . A . 11 GLU H . . A . 10 GLU HB3 . . . 11 GLU- HN . . . . . 10 GLU- HB3 . . rr_1aqa 1 267 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HA H . . . . . . . 3.6 . . . . . A . 11 GLU H . . A . 11 GLU HA . . . 11 GLU- HN . . . . . 11 GLU- HA . . rr_1aqa 1 268 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU H H . . . . . . . 3.3 . . . . . A . 11 GLU HB3 . . A . 11 GLU H . . . 11 GLU- HB3 . . . . . 11 GLU- HN . . rr_1aqa 1 269 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . . . 5.1 . . . . . A . 11 GLU H . . A . 11 GLU HG2 . . . 11 GLU- HN . . . . . 11 GLU- QG . . rr_1aqa 1 269 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU H H . . . . . . . 5.1 . . . . . A . 11 GLU HG3 . . A . 11 GLU H . . . 11 GLU- QG . . . . . 11 GLU- HN . . rr_1aqa 1 270 1 . . 1 1 12 12 ILE H H . . . 1 1 11 11 GLU H H . . . . . . . 3.5 . . . . . A . 12 ILE H . . A . 11 GLU H . . . 12 ILE HN . . . . . 11 GLU- HN . . rr_1aqa 1 271 1 . . 1 1 11 11 GLU H H . . . 1 1 13 13 GLN H H . . . . . . . 5.3 . . . . . A . 11 GLU H . . A . 13 GLN H . . . 11 GLU- HN . . . . . 13 GLN HN . . rr_1aqa 1 272 1 . . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HB2 H . . . . . . . 3.2 . . . . . A . 11 GLU HA . . A . 11 GLU HB2 . . . 11 GLU- HA . . . . . 11 GLU- HB2 . . rr_1aqa 1 273 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU HA H . . . . . . . 3.5 . . . . . A . 11 GLU HB3 . . A . 11 GLU HA . . . 11 GLU- HB3 . . . . . 11 GLU- HA . . rr_1aqa 1 274 1 OR . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HG2 H . . . . . . . 5.2 . . . . . A . 11 GLU HA . . A . 11 GLU HG2 . . . 11 GLU- HA . . . . . 11 GLU- QG . . rr_1aqa 1 274 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HA H . . . . . . . 5.2 . . . . . A . 11 GLU HG3 . . A . 11 GLU HA . . . 11 GLU- QG . . . . . 11 GLU- HA . . rr_1aqa 1 275 1 . . 1 1 12 12 ILE H H . . . 1 1 11 11 GLU HA H . . . . . . . 4.1 . . . . . A . 12 ILE H . . A . 11 GLU HA . . . 12 ILE HN . . . . . 11 GLU- HA . . rr_1aqa 1 276 1 . . 1 1 12 12 ILE HA H . . . 1 1 11 11 GLU HA H . . . . . . . 5.3 . . . . . A . 12 ILE HA . . A . 11 GLU HA . . . 12 ILE HA . . . . . 11 GLU- HA . . rr_1aqa 1 277 1 . . 1 1 13 13 GLN H H . . . 1 1 11 11 GLU HA H . . . . . . . 5.5 . . . . . A . 13 GLN H . . A . 11 GLU HA . . . 13 GLN HN . . . . . 11 GLU- HA . . rr_1aqa 1 278 1 . . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS H H . . . . . . . 4.3 . . . . . A . 11 GLU HA . . A . 14 LYS H . . . 11 GLU- HA . . . . . 14 LYS+ HN . . rr_1aqa 1 279 1 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HB2 H . . . . . . . 5.3 . . . . . A . 11 GLU HA . . A . 14 LYS HB2 . . . 11 GLU- HA . . . . . 14 LYS+ QB . . rr_1aqa 1 279 2 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HB3 H . . . . . . . 5.3 . . . . . A . 11 GLU HA . . A . 14 LYS HB3 . . . 11 GLU- HA . . . . . 14 LYS+ QB . . rr_1aqa 1 280 1 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HG2 H . . . . . . . 7.0 . . . . . A . 11 GLU HA . . A . 14 LYS HG2 . . . 11 GLU- HA . . . . . 14 LYS+ QG . . rr_1aqa 1 280 2 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HG3 H . . . . . . . 7.0 . . . . . A . 11 GLU HA . . A . 14 LYS HG3 . . . 11 GLU- HA . . . . . 14 LYS+ QG . . rr_1aqa 1 281 1 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HE2 H . . . . . . . 7.0 . . . . . A . 11 GLU HA . . A . 14 LYS HE2 . . . 11 GLU- HA . . . . . 14 LYS+ QE . . rr_1aqa 1 281 2 OR . 1 1 11 11 GLU HA H . . . 1 1 14 14 LYS HE3 H . . . . . . . 7.0 . . . . . A . 11 GLU HA . . A . 14 LYS HE3 . . . 11 GLU- HA . . . . . 14 LYS+ QE . . rr_1aqa 1 282 1 . . 1 1 11 11 GLU HA H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.0 . . . . . A . 11 GLU HA . . A . 15 HIS HD2 . . . 11 GLU- HA . . . . . 15 HIS HD2 . . rr_1aqa 1 283 1 OR . 1 1 11 11 GLU HB2 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 5.2 . . . . . A . 11 GLU HB2 . . A . 11 GLU HG2 . . . 11 GLU- HB2 . . . . . 11 GLU- QG . . rr_1aqa 1 283 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HB2 H . . . . . . . 5.2 . . . . . A . 11 GLU HG3 . . A . 11 GLU HB2 . . . 11 GLU- QG . . . . . 11 GLU- HB2 . . rr_1aqa 1 284 1 . . 1 1 12 12 ILE HB H . . . 1 1 11 11 GLU HB2 H . . . . . . . 6.0 . . . . . A . 12 ILE HB . . A . 11 GLU HB2 . . . 12 ILE HB . . . . . 11 GLU- HB2 . . rr_1aqa 1 285 1 . . 1 1 12 12 ILE HG12 H . . . 1 1 11 11 GLU HB2 H . . . . . . . 5.0 . . . . . A . 12 ILE HG12 . . A . 11 GLU HB2 . . . 12 ILE HG12 . . . . . 11 GLU- HB2 . . rr_1aqa 1 286 1 . . 1 1 12 12 ILE HG13 H . . . 1 1 11 11 GLU HB2 H . . . . . . . 6.0 . . . . . A . 12 ILE HG13 . . A . 11 GLU HB2 . . . 12 ILE HG13 . . . . . 11 GLU- HB2 . . rr_1aqa 1 287 1 OR . 1 1 11 11 GLU HB3 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 4.7 . . . . . A . 11 GLU HB3 . . A . 11 GLU HG2 . . . 11 GLU- HB3 . . . . . 11 GLU- QG . . rr_1aqa 1 287 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HB3 H . . . . . . . 4.7 . . . . . A . 11 GLU HG3 . . A . 11 GLU HB3 . . . 11 GLU- QG . . . . . 11 GLU- HB3 . . rr_1aqa 1 288 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 12 12 ILE H H . . . . . . . 4.1 . . . . . A . 11 GLU HB3 . . A . 12 ILE H . . . 11 GLU- HB3 . . . . . 12 ILE HN . . rr_1aqa 1 289 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 15 15 HIS HD2 H . . . . . . . 6.0 . . . . . A . 11 GLU HB3 . . A . 15 HIS HD2 . . . 11 GLU- HB3 . . . . . 15 HIS HD2 . . rr_1aqa 1 290 1 . . 1 1 11 11 GLU HB3 H . . . 1 1 22 22 TRP HZ3 H . . . . . . . 6.0 . . . . . A . 11 GLU HB3 . . A . 22 TRP HZ3 . . . 11 GLU- HB3 . . . . . 22 TRP HZ3 . . rr_1aqa 1 291 1 OR . 1 1 12 12 ILE H H . . . 1 1 11 11 GLU HG2 H . . . . . . . 7.0 . . . . . A . 12 ILE H . . A . 11 GLU HG2 . . . 12 ILE HN . . . . . 11 GLU- QG . . rr_1aqa 1 291 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 ILE H H . . . . . . . 7.0 . . . . . A . 11 GLU HG3 . . A . 12 ILE H . . . 11 GLU- QG . . . . . 12 ILE HN . . rr_1aqa 1 292 1 OR . 1 1 12 12 ILE HA H . . . 1 1 11 11 GLU HG2 H . . . . . . . 7.0 . . . . . A . 12 ILE HA . . A . 11 GLU HG2 . . . 12 ILE HA . . . . . 11 GLU- QG . . rr_1aqa 1 292 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 12 12 ILE HA H . . . . . . . 7.0 . . . . . A . 11 GLU HG3 . . A . 12 ILE HA . . . 11 GLU- QG . . . . . 12 ILE HA . . rr_1aqa 1 293 1 OR . 1 1 11 11 GLU HG2 H . . . 1 1 14 14 LYS HB2 H . . . . . . . 8.0 . . . . . A . 11 GLU HG2 . . A . 14 LYS HB2 . . . 11 GLU- QG . . . . . 14 LYS+ QB . . rr_1aqa 1 293 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 14 14 LYS HB2 H . . . . . . . 8.0 . . . . . A . 11 GLU HG3 . . A . 14 LYS HB2 . . . 11 GLU- QG . . . . . 14 LYS+ QB . . rr_1aqa 1 293 3 OR . 1 1 14 14 LYS HB3 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 8.0 . . . . . A . 14 LYS HB3 . . A . 11 GLU HG2 . . . 14 LYS+ QB . . . . . 11 GLU- QG . . rr_1aqa 1 293 4 OR . 1 1 11 11 GLU HG3 H . . . 1 1 14 14 LYS HB3 H . . . . . . . 8.0 . . . . . A . 11 GLU HG3 . . A . 14 LYS HB3 . . . 11 GLU- QG . . . . . 14 LYS+ QB . . rr_1aqa 1 294 1 OR . 1 1 22 22 TRP HE3 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 7.0 . . . . . A . 22 TRP HE3 . . A . 11 GLU HG2 . . . 22 TRP HE3 . . . . . 11 GLU- QG . . rr_1aqa 1 294 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 22 22 TRP HE3 H . . . . . . . 7.0 . . . . . A . 11 GLU HG3 . . A . 22 TRP HE3 . . . 11 GLU- QG . . . . . 22 TRP HE3 . . rr_1aqa 1 295 1 OR . 1 1 22 22 TRP HZ3 H . . . 1 1 11 11 GLU HG2 H . . . . . . . 7.0 . . . . . A . 22 TRP HZ3 . . A . 11 GLU HG2 . . . 22 TRP HZ3 . . . . . 11 GLU- QG . . rr_1aqa 1 295 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 22 22 TRP HZ3 H . . . . . . . 7.0 . . . . . A . 11 GLU HG3 . . A . 22 TRP HZ3 . . . 11 GLU- QG . . . . . 22 TRP HZ3 . . rr_1aqa 1 296 1 . . 1 1 12 12 ILE H H . . . 1 1 12 12 ILE HA H . . . . . . . 3.9 . . . . . A . 12 ILE H . . A . 12 ILE HA . . . 12 ILE HN . . . . . 12 ILE HA . . rr_1aqa 1 297 1 . . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE H H . . . . . . . 3.3 . . . . . A . 12 ILE HB . . A . 12 ILE H . . . 12 ILE HB . . . . . 12 ILE HN . . rr_1aqa 1 298 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE H H . . . . . . . 5.0 . . . . . A . 12 ILE MD . . A . 12 ILE H . . . 12 ILE QD1 . . . . . 12 ILE HN . . rr_1aqa 1 299 1 . . 1 1 12 12 ILE H H . . . 1 1 13 13 GLN H H . . . . . . . 3.6 . . . . . A . 12 ILE H . . A . 13 GLN H . . . 12 ILE HN . . . . . 13 GLN HN . . rr_1aqa 1 300 1 . . 1 1 12 12 ILE H H . . . 1 1 13 13 GLN HB3 H . . . . . . . 5.6 . . . . . A . 12 ILE H . . A . 13 GLN HB3 . . . 12 ILE HN . . . . . 13 GLN HB3 . . rr_1aqa 1 301 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 12 12 ILE H H . . . . . . . 6.0 . . . . . A . 22 TRP HZ3 . . A . 12 ILE H . . . 22 TRP HZ3 . . . . . 12 ILE HN . . rr_1aqa 1 302 1 . . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE HA H . . . . . . . 4.6 . . . . . A . 12 ILE HB . . A . 12 ILE HA . . . 12 ILE HB . . . . . 12 ILE HA . . rr_1aqa 1 303 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HA H . . . . . . . 4.0 . . . . . A . 12 ILE MD . . A . 12 ILE HA . . . 12 ILE QD1 . . . . . 12 ILE HA . . rr_1aqa 1 304 1 . . 1 1 12 12 ILE HA H . . . 1 1 13 13 GLN H H . . . . . . . 4.2 . . . . . A . 12 ILE HA . . A . 13 GLN H . . . 12 ILE HA . . . . . 13 GLN HN . . rr_1aqa 1 305 1 . . 1 1 12 12 ILE HA H . . . 1 1 13 13 GLN HA H . . . . . . . 5.1 . . . . . A . 12 ILE HA . . A . 13 GLN HA . . . 12 ILE HA . . . . . 13 GLN HA . . rr_1aqa 1 306 1 . . 1 1 12 12 ILE HA H . . . 1 1 15 15 HIS H H . . . . . . . 4.8 . . . . . A . 12 ILE HA . . A . 15 HIS H . . . 12 ILE HA . . . . . 15 HIS HN . . rr_1aqa 1 307 1 . . 1 1 12 12 ILE HA H . . . 1 1 15 15 HIS HE1 H . . . . . . . 6.0 . . . . . A . 12 ILE HA . . A . 15 HIS HE1 . . . 12 ILE HA . . . . . 15 HIS HE1 . . rr_1aqa 1 308 1 . . 1 1 12 12 ILE HA H . . . 1 1 22 22 TRP HE3 H . . . . . . . 4.6 . . . . . A . 12 ILE HA . . A . 22 TRP HE3 . . . 12 ILE HA . . . . . 22 TRP HE3 . . rr_1aqa 1 309 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 12 12 ILE HA H . . . . . . . 5.5 . . . . . A . 22 TRP HZ3 . . A . 12 ILE HA . . . 22 TRP HZ3 . . . . . 12 ILE HA . . rr_1aqa 1 310 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 12 12 ILE HA H . . . . . . . 6.5 . . . . . A . 79 LEU MD1 . . A . 12 ILE HA . . . 79 LEU QD1 . . . . . 12 ILE HA . . rr_1aqa 1 311 1 . . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE MG H . . . . . . . 4.3 . . . . . A . 12 ILE HB . . A . 12 ILE MG . . . 12 ILE HB . . . . . 12 ILE QG2 . . rr_1aqa 1 312 1 . . 1 1 12 12 ILE HB H . . . 1 1 12 12 ILE HG12 H . . . . . . . 3.6 . . . . . A . 12 ILE HB . . A . 12 ILE HG12 . . . 12 ILE HB . . . . . 12 ILE HG12 . . rr_1aqa 1 313 1 . . 1 1 12 12 ILE HG13 H . . . 1 1 12 12 ILE HB H . . . . . . . 4.0 . . . . . A . 12 ILE HG13 . . A . 12 ILE HB . . . 12 ILE HG13 . . . . . 12 ILE HB . . rr_1aqa 1 314 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HB H . . . . . . . 3.9 . . . . . A . 12 ILE MD . . A . 12 ILE HB . . . 12 ILE QD1 . . . . . 12 ILE HB . . rr_1aqa 1 315 1 . . 1 1 12 12 ILE HB H . . . 1 1 13 13 GLN H H . . . . . . . 3.4 . . . . . A . 12 ILE HB . . A . 13 GLN H . . . 12 ILE HB . . . . . 13 GLN HN . . rr_1aqa 1 316 1 OR . 1 1 12 12 ILE HB H . . . 1 1 13 13 GLN HG2 H . . . . . . . 7.0 . . . . . A . 12 ILE HB . . A . 13 GLN HG2 . . . 12 ILE HB . . . . . 13 GLN QG . . rr_1aqa 1 316 2 OR . 1 1 12 12 ILE HB H . . . 1 1 13 13 GLN HG3 H . . . . . . . 7.0 . . . . . A . 12 ILE HB . . A . 13 GLN HG3 . . . 12 ILE HB . . . . . 13 GLN QG . . rr_1aqa 1 317 1 . . 1 1 12 12 ILE HB H . . . 1 1 51 51 GLY HA2 H . . . . . . . 6.0 . . . . . A . 12 ILE HB . . A . 51 GLY HA2 . . . 12 ILE HB . . . . . 51 GLY HA1 . . rr_1aqa 1 318 1 . . 1 1 12 12 ILE HB H . . . 1 1 51 51 GLY HA3 H . . . . . . . 6.0 . . . . . A . 12 ILE HB . . A . 51 GLY HA3 . . . 12 ILE HB . . . . . 51 GLY HA2 . . rr_1aqa 1 319 1 . . 1 1 12 12 ILE HB H . . . 1 1 79 79 LEU MD2 H . . . . . . . 5.6 . . . . . A . 12 ILE HB . . A . 79 LEU MD2 . . . 12 ILE HB . . . . . 79 LEU QD2 . . rr_1aqa 1 320 1 . . 1 1 12 12 ILE HG12 H . . . 1 1 12 12 ILE MG H . . . . . . . 3.4 . . . . . A . 12 ILE HG12 . . A . 12 ILE MG . . . 12 ILE HG12 . . . . . 12 ILE QG2 . . rr_1aqa 1 321 1 . . 1 1 12 12 ILE HG13 H . . . 1 1 12 12 ILE MG H . . . . . . . 4.3 . . . . . A . 12 ILE HG13 . . A . 12 ILE MG . . . 12 ILE HG13 . . . . . 12 ILE QG2 . . rr_1aqa 1 322 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE MG H . . . . . . . 4.4 . . . . . A . 12 ILE MD . . A . 12 ILE MG . . . 12 ILE QD1 . . . . . 12 ILE QG2 . . rr_1aqa 1 323 1 . . 1 1 12 12 ILE MG H . . . 1 1 15 15 HIS HB2 H . . . . . . . 6.3 . . . . . A . 12 ILE MG . . A . 15 HIS HB2 . . . 12 ILE QG2 . . . . . 15 HIS HB2 . . rr_1aqa 1 324 1 . . 1 1 12 12 ILE MG H . . . 1 1 24 24 ILE H H . . . . . . . 7.0 . . . . . A . 12 ILE MG . . A . 24 ILE H . . . 12 ILE QG2 . . . . . 24 ILE HN . . rr_1aqa 1 325 1 . . 1 1 12 12 ILE MG H . . . 1 1 24 24 ILE HA H . . . . . . . 7.0 . . . . . A . 12 ILE MG . . A . 24 ILE HA . . . 12 ILE QG2 . . . . . 24 ILE HA . . rr_1aqa 1 326 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 12 12 ILE MG H . . . . . . . 5.8 . . . . . A . 29 VAL MG1 . . A . 12 ILE MG . . . 29 VAL QG1 . . . . . 12 ILE QG2 . . rr_1aqa 1 327 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 12 12 ILE MG H . . . . . . . 6.6 . . . . . A . 29 VAL MG2 . . A . 12 ILE MG . . . 29 VAL QG2 . . . . . 12 ILE QG2 . . rr_1aqa 1 328 1 . . 1 1 12 12 ILE MD H . . . 1 1 12 12 ILE HG12 H . . . . . . . 4.2 . . . . . A . 12 ILE MD . . A . 12 ILE HG12 . . . 12 ILE QD1 . . . . . 12 ILE HG12 . . rr_1aqa 1 329 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 12 12 ILE HG12 H . . . . . . . 6.1 . . . . . A . 79 LEU MD2 . . A . 12 ILE HG12 . . . 79 LEU QD2 . . . . . 12 ILE HG12 . . rr_1aqa 1 330 1 . . 1 1 12 12 ILE HG13 H . . . 1 1 12 12 ILE MD H . . . . . . . 3.7 . . . . . A . 12 ILE HG13 . . A . 12 ILE MD . . . 12 ILE HG13 . . . . . 12 ILE QD1 . . rr_1aqa 1 331 1 . . 1 1 12 12 ILE MD H . . . 1 1 15 15 HIS HB2 H . . . . . . . 6.5 . . . . . A . 12 ILE MD . . A . 15 HIS HB2 . . . 12 ILE QD1 . . . . . 15 HIS HB2 . . rr_1aqa 1 332 1 . . 1 1 12 12 ILE MD H . . . 1 1 22 22 TRP HE3 H . . . . . . . 4.4 . . . . . A . 12 ILE MD . . A . 22 TRP HE3 . . . 12 ILE QD1 . . . . . 22 TRP HE3 . . rr_1aqa 1 333 1 . . 1 1 12 12 ILE MD H . . . 1 1 23 23 VAL HA H . . . . . . . 6.0 . . . . . A . 12 ILE MD . . A . 23 VAL HA . . . 12 ILE QD1 . . . . . 23 VAL HA . . rr_1aqa 1 334 1 . . 1 1 12 12 ILE MD H . . . 1 1 24 24 ILE H H . . . . . . . 5.3 . . . . . A . 12 ILE MD . . A . 24 ILE H . . . 12 ILE QD1 . . . . . 24 ILE HN . . rr_1aqa 1 335 1 . . 1 1 12 12 ILE MD H . . . 1 1 24 24 ILE HA H . . . . . . . 5.4 . . . . . A . 12 ILE MD . . A . 24 ILE HA . . . 12 ILE QD1 . . . . . 24 ILE HA . . rr_1aqa 1 336 1 . . 1 1 12 12 ILE MD H . . . 1 1 29 29 VAL HB H . . . . . . . 5.4 . . . . . A . 12 ILE MD . . A . 29 VAL HB . . . 12 ILE QD1 . . . . . 29 VAL HB . . rr_1aqa 1 337 1 . . 1 1 12 12 ILE MD H . . . 1 1 29 29 VAL MG1 H . . . . . . . 6.7 . . . . . A . 12 ILE MD . . A . 29 VAL MG1 . . . 12 ILE QD1 . . . . . 29 VAL QG1 . . rr_1aqa 1 338 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 12 12 ILE MD H . . . . . . . 6.1 . . . . . A . 29 VAL MG2 . . A . 12 ILE MD . . . 29 VAL QG2 . . . . . 12 ILE QD1 . . rr_1aqa 1 339 1 . . 1 1 12 12 ILE MD H . . . 1 1 51 51 GLY HA2 H . . . . . . . 4.6 . . . . . A . 12 ILE MD . . A . 51 GLY HA2 . . . 12 ILE QD1 . . . . . 51 GLY HA1 . . rr_1aqa 1 340 1 . . 1 1 12 12 ILE MD H . . . 1 1 79 79 LEU HA H . . . . . . . 6.0 . . . . . A . 12 ILE MD . . A . 79 LEU HA . . . 12 ILE QD1 . . . . . 79 LEU HA . . rr_1aqa 1 341 1 . . 1 1 12 12 ILE MD H . . . 1 1 79 79 LEU MD2 H . . . . . . . 5.0 . . . . . A . 12 ILE MD . . A . 79 LEU MD2 . . . 12 ILE QD1 . . . . . 79 LEU QD2 . . rr_1aqa 1 342 1 . . 1 1 13 13 GLN H H . . . 1 1 13 13 GLN HA H . . . . . . . 3.9 . . . . . A . 13 GLN H . . A . 13 GLN HA . . . 13 GLN HN . . . . . 13 GLN HA . . rr_1aqa 1 343 1 . . 1 1 13 13 GLN H H . . . 1 1 13 13 GLN HB2 H . . . . . . . 3.2 . . . . . A . 13 GLN H . . A . 13 GLN HB2 . . . 13 GLN HN . . . . . 13 GLN HB2 . . rr_1aqa 1 344 1 . . 1 1 13 13 GLN H H . . . 1 1 13 13 GLN HB3 H . . . . . . . 3.5 . . . . . A . 13 GLN H . . A . 13 GLN HB3 . . . 13 GLN HN . . . . . 13 GLN HB3 . . rr_1aqa 1 345 1 OR . 1 1 13 13 GLN H H . . . 1 1 13 13 GLN HG2 H . . . . . . . 5.4 . . . . . A . 13 GLN H . . A . 13 GLN HG2 . . . 13 GLN HN . . . . . 13 GLN QG . . rr_1aqa 1 345 2 OR . 1 1 13 13 GLN H H . . . 1 1 13 13 GLN HG3 H . . . . . . . 5.4 . . . . . A . 13 GLN H . . A . 13 GLN HG3 . . . 13 GLN HN . . . . . 13 GLN QG . . rr_1aqa 1 346 1 . . 1 1 13 13 GLN H H . . . 1 1 14 14 LYS H H . . . . . . . 3.7 . . . . . A . 13 GLN H . . A . 14 LYS H . . . 13 GLN HN . . . . . 14 LYS+ HN . . rr_1aqa 1 347 1 . . 1 1 13 13 GLN H H . . . 1 1 15 15 HIS H H . . . . . . . 5.7 . . . . . A . 13 GLN H . . A . 15 HIS H . . . 13 GLN HN . . . . . 15 HIS HN . . rr_1aqa 1 348 1 . . 1 1 13 13 GLN H H . . . 1 1 51 51 GLY HA2 H . . . . . . . 4.7 . . . . . A . 13 GLN H . . A . 51 GLY HA2 . . . 13 GLN HN . . . . . 51 GLY HA1 . . rr_1aqa 1 349 1 . . 1 1 13 13 GLN H H . . . 1 1 51 51 GLY HA3 H . . . . . . . 4.0 . . . . . A . 13 GLN H . . A . 51 GLY HA3 . . . 13 GLN HN . . . . . 51 GLY HA2 . . rr_1aqa 1 350 1 . . 1 1 13 13 GLN HB2 H . . . 1 1 13 13 GLN HA H . . . . . . . 4.0 . . . . . A . 13 GLN HB2 . . A . 13 GLN HA . . . 13 GLN HB2 . . . . . 13 GLN HA . . rr_1aqa 1 351 1 . . 1 1 13 13 GLN HB3 H . . . 1 1 13 13 GLN HA H . . . . . . . 3.8 . . . . . A . 13 GLN HB3 . . A . 13 GLN HA . . . 13 GLN HB3 . . . . . 13 GLN HA . . rr_1aqa 1 352 1 OR . 1 1 13 13 GLN HA H . . . 1 1 13 13 GLN HG2 H . . . . . . . 4.7 . . . . . A . 13 GLN HA . . A . 13 GLN HG2 . . . 13 GLN HA . . . . . 13 GLN QG . . rr_1aqa 1 352 2 OR . 1 1 13 13 GLN HG3 H . . . 1 1 13 13 GLN HA H . . . . . . . 4.7 . . . . . A . 13 GLN HG3 . . A . 13 GLN HA . . . 13 GLN QG . . . . . 13 GLN HA . . rr_1aqa 1 353 1 . . 1 1 14 14 LYS H H . . . 1 1 13 13 GLN HA H . . . . . . . 4.9 . . . . . A . 14 LYS H . . A . 13 GLN HA . . . 14 LYS+ HN . . . . . 13 GLN HA . . rr_1aqa 1 354 1 . . 1 1 13 13 GLN HA H . . . 1 1 14 14 LYS HA H . . . . . . . 5.2 . . . . . A . 13 GLN HA . . A . 14 LYS HA . . . 13 GLN HA . . . . . 14 LYS+ HA . . rr_1aqa 1 355 1 . . 1 1 13 13 GLN HA H . . . 1 1 15 15 HIS H H . . . . . . . 4.7 . . . . . A . 13 GLN HA . . A . 15 HIS H . . . 13 GLN HA . . . . . 15 HIS HN . . rr_1aqa 1 356 1 . . 1 1 13 13 GLN HA H . . . 1 1 51 51 GLY HA2 H . . . . . . . 3.5 . . . . . A . 13 GLN HA . . A . 51 GLY HA2 . . . 13 GLN HA . . . . . 51 GLY HA1 . . rr_1aqa 1 357 1 . . 1 1 13 13 GLN HA H . . . 1 1 51 51 GLY HA3 H . . . . . . . 4.6 . . . . . A . 13 GLN HA . . A . 51 GLY HA3 . . . 13 GLN HA . . . . . 51 GLY HA2 . . rr_1aqa 1 358 1 OR . 1 1 13 13 GLN HB2 H . . . 1 1 13 13 GLN HG2 H . . . . . . . 4.9 . . . . . A . 13 GLN HB2 . . A . 13 GLN HG2 . . . 13 GLN HB2 . . . . . 13 GLN QG . . rr_1aqa 1 358 2 OR . 1 1 13 13 GLN HB2 H . . . 1 1 13 13 GLN HG3 H . . . . . . . 4.9 . . . . . A . 13 GLN HB2 . . A . 13 GLN HG3 . . . 13 GLN HB2 . . . . . 13 GLN QG . . rr_1aqa 1 359 1 . . 1 1 13 13 GLN HB2 H . . . 1 1 14 14 LYS H H . . . . . . . 4.9 . . . . . A . 13 GLN HB2 . . A . 14 LYS H . . . 13 GLN HB2 . . . . . 14 LYS+ HN . . rr_1aqa 1 360 1 OR . 1 1 13 13 GLN HB2 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 7.0 . . . . . A . 13 GLN HB2 . . A . 14 LYS HG2 . . . 13 GLN HB2 . . . . . 14 LYS+ QG . . rr_1aqa 1 360 2 OR . 1 1 13 13 GLN HB2 H . . . 1 1 14 14 LYS HG3 H . . . . . . . 7.0 . . . . . A . 13 GLN HB2 . . A . 14 LYS HG3 . . . 13 GLN HB2 . . . . . 14 LYS+ QG . . rr_1aqa 1 361 1 OR . 1 1 13 13 GLN HB3 H . . . 1 1 13 13 GLN HG2 H . . . . . . . 5.5 . . . . . A . 13 GLN HB3 . . A . 13 GLN HG2 . . . 13 GLN HB3 . . . . . 13 GLN QG . . rr_1aqa 1 361 2 OR . 1 1 13 13 GLN HG3 H . . . 1 1 13 13 GLN HB3 H . . . . . . . 5.5 . . . . . A . 13 GLN HG3 . . A . 13 GLN HB3 . . . 13 GLN QG . . . . . 13 GLN HB3 . . rr_1aqa 1 362 1 . . 1 1 13 13 GLN HB3 H . . . 1 1 14 14 LYS H H . . . . . . . 4.6 . . . . . A . 13 GLN HB3 . . A . 14 LYS H . . . 13 GLN HB3 . . . . . 14 LYS+ HN . . rr_1aqa 1 363 1 . . 1 1 13 13 GLN HB3 H . . . 1 1 14 14 LYS HA H . . . . . . . 4.6 . . . . . A . 13 GLN HB3 . . A . 14 LYS HA . . . 13 GLN HB3 . . . . . 14 LYS+ HA . . rr_1aqa 1 364 1 OR . 1 1 14 14 LYS H H . . . 1 1 13 13 GLN HG2 H . . . . . . . 7.0 . . . . . A . 14 LYS H . . A . 13 GLN HG2 . . . 14 LYS+ HN . . . . . 13 GLN QG . . rr_1aqa 1 364 2 OR . 1 1 13 13 GLN HG3 H . . . 1 1 14 14 LYS H H . . . . . . . 7.0 . . . . . A . 13 GLN HG3 . . A . 14 LYS H . . . 13 GLN QG . . . . . 14 LYS+ HN . . rr_1aqa 1 365 1 . . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HA H . . . . . . . 3.7 . . . . . A . 14 LYS H . . A . 14 LYS HA . . . 14 LYS+ HN . . . . . 14 LYS+ HA . . rr_1aqa 1 366 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB2 H . . . . . . . 3.9 . . . . . A . 14 LYS H . . A . 14 LYS HB2 . . . 14 LYS+ HN . . . . . 14 LYS+ QB . . rr_1aqa 1 366 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HB3 H . . . . . . . 3.9 . . . . . A . 14 LYS H . . A . 14 LYS HB3 . . . 14 LYS+ HN . . . . . 14 LYS+ QB . . rr_1aqa 1 367 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HG2 H . . . . . . . 5.1 . . . . . A . 14 LYS H . . A . 14 LYS HG2 . . . 14 LYS+ HN . . . . . 14 LYS+ QG . . rr_1aqa 1 367 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HG3 H . . . . . . . 5.1 . . . . . A . 14 LYS H . . A . 14 LYS HG3 . . . 14 LYS+ HN . . . . . 14 LYS+ QG . . rr_1aqa 1 368 1 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HE2 H . . . . . . . 7.0 . . . . . A . 14 LYS H . . A . 14 LYS HE2 . . . 14 LYS+ HN . . . . . 14 LYS+ QE . . rr_1aqa 1 368 2 OR . 1 1 14 14 LYS H H . . . 1 1 14 14 LYS HE3 H . . . . . . . 7.0 . . . . . A . 14 LYS H . . A . 14 LYS HE3 . . . 14 LYS+ HN . . . . . 14 LYS+ QE . . rr_1aqa 1 369 1 . . 1 1 14 14 LYS H H . . . 1 1 15 15 HIS H H . . . . . . . 3.3 . . . . . A . 14 LYS H . . A . 15 HIS H . . . 14 LYS+ HN . . . . . 15 HIS HN . . rr_1aqa 1 370 1 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HB2 H . . . . . . . 4.1 . . . . . A . 14 LYS HA . . A . 14 LYS HB2 . . . 14 LYS+ HA . . . . . 14 LYS+ QB . . rr_1aqa 1 370 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 14 14 LYS HA H . . . . . . . 4.1 . . . . . A . 14 LYS HB3 . . A . 14 LYS HA . . . 14 LYS+ QB . . . . . 14 LYS+ HA . . rr_1aqa 1 371 1 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HG2 H . . . . . . . 5.6 . . . . . A . 14 LYS HA . . A . 14 LYS HG2 . . . 14 LYS+ HA . . . . . 14 LYS+ QG . . rr_1aqa 1 371 2 OR . 1 1 14 14 LYS HG3 H . . . 1 1 14 14 LYS HA H . . . . . . . 5.6 . . . . . A . 14 LYS HG3 . . A . 14 LYS HA . . . 14 LYS+ QG . . . . . 14 LYS+ HA . . rr_1aqa 1 372 1 OR . 1 1 14 14 LYS HA H . . . 1 1 14 14 LYS HE2 H . . . . . . . 6.7 . . . . . A . 14 LYS HA . . A . 14 LYS HE2 . . . 14 LYS+ HA . . . . . 14 LYS+ QE . . rr_1aqa 1 372 2 OR . 1 1 14 14 LYS HE3 H . . . 1 1 14 14 LYS HA H . . . . . . . 6.7 . . . . . A . 14 LYS HE3 . . A . 14 LYS HA . . . 14 LYS+ QE . . . . . 14 LYS+ HA . . rr_1aqa 1 373 1 . . 1 1 15 15 HIS H H . . . 1 1 14 14 LYS HA H . . . . . . . 4.3 . . . . . A . 15 HIS H . . A . 14 LYS HA . . . 15 HIS HN . . . . . 14 LYS+ HA . . rr_1aqa 1 374 1 OR . 1 1 14 14 LYS HB2 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 5.7 . . . . . A . 14 LYS HB2 . . A . 14 LYS HG2 . . . 14 LYS+ QB . . . . . 14 LYS+ QG . . rr_1aqa 1 374 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 5.7 . . . . . A . 14 LYS HB3 . . A . 14 LYS HG2 . . . 14 LYS+ QB . . . . . 14 LYS+ QG . . rr_1aqa 1 374 3 OR . 1 1 14 14 LYS HG3 H . . . 1 1 14 14 LYS HB2 H . . . . . . . 5.7 . . . . . A . 14 LYS HG3 . . A . 14 LYS HB2 . . . 14 LYS+ QG . . . . . 14 LYS+ QB . . rr_1aqa 1 374 4 OR . 1 1 14 14 LYS HB3 H . . . 1 1 14 14 LYS HG3 H . . . . . . . 5.7 . . . . . A . 14 LYS HB3 . . A . 14 LYS HG3 . . . 14 LYS+ QB . . . . . 14 LYS+ QG . . rr_1aqa 1 375 1 OR . 1 1 14 14 LYS HB2 H . . . 1 1 14 14 LYS HE2 H . . . . . . . 6.5 . . . . . A . 14 LYS HB2 . . A . 14 LYS HE2 . . . 14 LYS+ QB . . . . . 14 LYS+ QE . . rr_1aqa 1 375 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 14 14 LYS HE2 H . . . . . . . 6.5 . . . . . A . 14 LYS HB3 . . A . 14 LYS HE2 . . . 14 LYS+ QB . . . . . 14 LYS+ QE . . rr_1aqa 1 375 3 OR . 1 1 14 14 LYS HE3 H . . . 1 1 14 14 LYS HB2 H . . . . . . . 6.5 . . . . . A . 14 LYS HE3 . . A . 14 LYS HB2 . . . 14 LYS+ QE . . . . . 14 LYS+ QB . . rr_1aqa 1 375 4 OR . 1 1 14 14 LYS HB3 H . . . 1 1 14 14 LYS HE3 H . . . . . . . 6.5 . . . . . A . 14 LYS HB3 . . A . 14 LYS HE3 . . . 14 LYS+ QB . . . . . 14 LYS+ QE . . rr_1aqa 1 376 1 OR . 1 1 15 15 HIS H H . . . 1 1 14 14 LYS HB2 H . . . . . . . 5.8 . . . . . A . 15 HIS H . . A . 14 LYS HB2 . . . 15 HIS HN . . . . . 14 LYS+ QB . . rr_1aqa 1 376 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 15 15 HIS H H . . . . . . . 5.8 . . . . . A . 14 LYS HB3 . . A . 15 HIS H . . . 14 LYS+ QB . . . . . 15 HIS HN . . rr_1aqa 1 377 1 OR . 1 1 15 15 HIS HD2 H . . . 1 1 14 14 LYS HB2 H . . . . . . . 7.0 . . . . . A . 15 HIS HD2 . . A . 14 LYS HB2 . . . 15 HIS HD2 . . . . . 14 LYS+ QB . . rr_1aqa 1 377 2 OR . 1 1 14 14 LYS HB3 H . . . 1 1 15 15 HIS HD2 H . . . . . . . 7.0 . . . . . A . 14 LYS HB3 . . A . 15 HIS HD2 . . . 14 LYS+ QB . . . . . 15 HIS HD2 . . rr_1aqa 1 378 1 OR . 1 1 14 14 LYS HE2 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 8.0 . . . . . A . 14 LYS HE2 . . A . 14 LYS HG2 . . . 14 LYS+ QE . . . . . 14 LYS+ QG . . rr_1aqa 1 378 2 OR . 1 1 14 14 LYS HE3 H . . . 1 1 14 14 LYS HG2 H . . . . . . . 8.0 . . . . . A . 14 LYS HE3 . . A . 14 LYS HG2 . . . 14 LYS+ QE . . . . . 14 LYS+ QG . . rr_1aqa 1 378 3 OR . 1 1 14 14 LYS HG3 H . . . 1 1 14 14 LYS HE2 H . . . . . . . 8.0 . . . . . A . 14 LYS HG3 . . A . 14 LYS HE2 . . . 14 LYS+ QG . . . . . 14 LYS+ QE . . rr_1aqa 1 378 4 OR . 1 1 14 14 LYS HG3 H . . . 1 1 14 14 LYS HE3 H . . . . . . . 8.0 . . . . . A . 14 LYS HG3 . . A . 14 LYS HE3 . . . 14 LYS+ QG . . . . . 14 LYS+ QE . . rr_1aqa 1 379 1 OR . 1 1 15 15 HIS H H . . . 1 1 14 14 LYS HG2 H . . . . . . . 7.0 . . . . . A . 15 HIS H . . A . 14 LYS HG2 . . . 15 HIS HN . . . . . 14 LYS+ QG . . rr_1aqa 1 379 2 OR . 1 1 14 14 LYS HG3 H . . . 1 1 15 15 HIS H H . . . . . . . 7.0 . . . . . A . 14 LYS HG3 . . A . 15 HIS H . . . 14 LYS+ QG . . . . . 15 HIS HN . . rr_1aqa 1 380 1 . . 1 1 15 15 HIS H H . . . 1 1 15 15 HIS HA H . . . . . . . 4.2 . . . . . A . 15 HIS H . . A . 15 HIS HA . . . 15 HIS HN . . . . . 15 HIS HA . . rr_1aqa 1 381 1 . . 1 1 15 15 HIS H H . . . 1 1 15 15 HIS HB2 H . . . . . . . 3.8 . . . . . A . 15 HIS H . . A . 15 HIS HB2 . . . 15 HIS HN . . . . . 15 HIS HB2 . . rr_1aqa 1 382 1 . . 1 1 15 15 HIS H H . . . 1 1 15 15 HIS HB3 H . . . . . . . 4.4 . . . . . A . 15 HIS H . . A . 15 HIS HB3 . . . 15 HIS HN . . . . . 15 HIS HB3 . . rr_1aqa 1 383 1 . . 1 1 15 15 HIS H H . . . 1 1 16 16 LYS H H . . . . . . . 4.6 . . . . . A . 15 HIS H . . A . 16 LYS H . . . 15 HIS HN . . . . . 16 LYS+ HN . . rr_1aqa 1 384 1 . . 1 1 15 15 HIS H H . . . 1 1 16 16 LYS HA H . . . . . . . 5.9 . . . . . A . 15 HIS H . . A . 16 LYS HA . . . 15 HIS HN . . . . . 16 LYS+ HA . . rr_1aqa 1 385 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 15 15 HIS HA H . . . . . . . 5.4 . . . . . A . 15 HIS HB2 . . A . 15 HIS HA . . . 15 HIS HB2 . . . . . 15 HIS HA . . rr_1aqa 1 386 1 . . 1 1 15 15 HIS HA H . . . 1 1 15 15 HIS HB3 H . . . . . . . 4.6 . . . . . A . 15 HIS HA . . A . 15 HIS HB3 . . . 15 HIS HA . . . . . 15 HIS HB3 . . rr_1aqa 1 387 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HA H . . . . . . . 5.9 . . . . . A . 15 HIS HD2 . . A . 15 HIS HA . . . 15 HIS HD2 . . . . . 15 HIS HA . . rr_1aqa 1 388 1 . . 1 1 15 15 HIS HE1 H . . . 1 1 15 15 HIS HA H . . . . . . . 6.0 . . . . . A . 15 HIS HE1 . . A . 15 HIS HA . . . 15 HIS HE1 . . . . . 15 HIS HA . . rr_1aqa 1 389 1 . . 1 1 15 15 HIS HA H . . . 1 1 16 16 LYS H H . . . . . . . 3.1 . . . . . A . 15 HIS HA . . A . 16 LYS H . . . 15 HIS HA . . . . . 16 LYS+ HN . . rr_1aqa 1 390 1 . . 1 1 15 15 HIS HA H . . . 1 1 16 16 LYS HA H . . . . . . . 6.0 . . . . . A . 15 HIS HA . . A . 16 LYS HA . . . 15 HIS HA . . . . . 16 LYS+ HA . . rr_1aqa 1 391 1 . . 1 1 15 15 HIS HA H . . . 1 1 17 17 ASP H H . . . . . . . 4.7 . . . . . A . 15 HIS HA . . A . 17 ASP H . . . 15 HIS HA . . . . . 17 ASP- HN . . rr_1aqa 1 392 1 . . 1 1 15 15 HIS HA H . . . 1 1 20 20 SER HA H . . . . . . . 5.3 . . . . . A . 15 HIS HA . . A . 20 SER HA . . . 15 HIS HA . . . . . 20 SER HA . . rr_1aqa 1 393 1 . . 1 1 15 15 HIS HE1 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 5.1 . . . . . A . 15 HIS HE1 . . A . 15 HIS HB2 . . . 15 HIS HE1 . . . . . 15 HIS HB2 . . rr_1aqa 1 394 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 16 16 LYS H H . . . . . . . 6.0 . . . . . A . 15 HIS HB2 . . A . 16 LYS H . . . 15 HIS HB2 . . . . . 16 LYS+ HN . . rr_1aqa 1 395 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 21 21 THR H H . . . . . . . 6.0 . . . . . A . 15 HIS HB2 . . A . 21 THR H . . . 15 HIS HB2 . . . . . 21 THR HN . . rr_1aqa 1 396 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 21 21 THR HA H . . . . . . . 6.0 . . . . . A . 15 HIS HB2 . . A . 21 THR HA . . . 15 HIS HB2 . . . . . 21 THR HA . . rr_1aqa 1 397 1 . . 1 1 15 15 HIS HB2 H . . . 1 1 22 22 TRP HB2 H . . . . . . . 6.0 . . . . . A . 15 HIS HB2 . . A . 22 TRP HB2 . . . 15 HIS HB2 . . . . . 22 TRP HB2 . . rr_1aqa 1 398 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 15 15 HIS HB2 H . . . . . . . 6.0 . . . . . A . 22 TRP HE3 . . A . 15 HIS HB2 . . . 22 TRP HE3 . . . . . 15 HIS HB2 . . rr_1aqa 1 399 1 . . 1 1 15 15 HIS HE1 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 5.1 . . . . . A . 15 HIS HE1 . . A . 15 HIS HB3 . . . 15 HIS HE1 . . . . . 15 HIS HB3 . . rr_1aqa 1 400 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 16 16 LYS H H . . . . . . . 5.3 . . . . . A . 15 HIS HB3 . . A . 16 LYS H . . . 15 HIS HB3 . . . . . 16 LYS+ HN . . rr_1aqa 1 401 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 22 22 TRP H H . . . . . . . 6.0 . . . . . A . 15 HIS HB3 . . A . 22 TRP H . . . 15 HIS HB3 . . . . . 22 TRP HN . . rr_1aqa 1 402 1 . . 1 1 15 15 HIS HB3 H . . . 1 1 22 22 TRP HB2 H . . . . . . . 5.3 . . . . . A . 15 HIS HB3 . . A . 22 TRP HB2 . . . 15 HIS HB3 . . . . . 22 TRP HB2 . . rr_1aqa 1 403 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 5.3 . . . . . A . 22 TRP HE3 . . A . 15 HIS HB3 . . . 22 TRP HE3 . . . . . 15 HIS HB3 . . rr_1aqa 1 404 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 15 15 HIS HB3 H . . . . . . . 6.0 . . . . . A . 22 TRP HZ3 . . A . 15 HIS HB3 . . . 22 TRP HZ3 . . . . . 15 HIS HB3 . . rr_1aqa 1 405 1 . . 1 1 15 15 HIS HD2 H . . . 1 1 15 15 HIS HE1 H . . . . . . . 3.0 . . . . . A . 15 HIS HD2 . . A . 15 HIS HE1 . . . 15 HIS HD2 . . . . . 15 HIS HE1 . . rr_1aqa 1 406 1 . . 1 1 16 16 LYS H H . . . 1 1 16 16 LYS HA H . . . . . . . 4.1 . . . . . A . 16 LYS H . . A . 16 LYS HA . . . 16 LYS+ HN . . . . . 16 LYS+ HA . . rr_1aqa 1 407 1 OR . 1 1 16 16 LYS H H . . . 1 1 16 16 LYS HB2 H . . . . . . . 4.2 . . . . . A . 16 LYS H . . A . 16 LYS HB2 . . . 16 LYS+ HN . . . . . 16 LYS+ QB . . rr_1aqa 1 407 2 OR . 1 1 16 16 LYS H H . . . 1 1 16 16 LYS HB3 H . . . . . . . 4.2 . . . . . A . 16 LYS H . . A . 16 LYS HB3 . . . 16 LYS+ HN . . . . . 16 LYS+ QB . . rr_1aqa 1 408 1 OR . 1 1 16 16 LYS H H . . . 1 1 16 16 LYS HG2 H . . . . . . . 5.6 . . . . . A . 16 LYS H . . A . 16 LYS HG2 . . . 16 LYS+ HN . . . . . 16 LYS+ QG . . rr_1aqa 1 408 2 OR . 1 1 16 16 LYS H H . . . 1 1 16 16 LYS HG3 H . . . . . . . 5.6 . . . . . A . 16 LYS H . . A . 16 LYS HG3 . . . 16 LYS+ HN . . . . . 16 LYS+ QG . . rr_1aqa 1 409 1 . . 1 1 16 16 LYS H H . . . 1 1 17 17 ASP H H . . . . . . . 3.3 . . . . . A . 16 LYS H . . A . 17 ASP H . . . 16 LYS+ HN . . . . . 17 ASP- HN . . rr_1aqa 1 410 1 . . 1 1 16 16 LYS H H . . . 1 1 17 17 ASP HB2 H . . . . . . . 6.0 . . . . . A . 16 LYS H . . A . 17 ASP HB2 . . . 16 LYS+ HN . . . . . 17 ASP- HB2 . . rr_1aqa 1 411 1 . . 1 1 16 16 LYS H H . . . 1 1 17 17 ASP HB3 H . . . . . . . 4.8 . . . . . A . 16 LYS H . . A . 17 ASP HB3 . . . 16 LYS+ HN . . . . . 17 ASP- HB3 . . rr_1aqa 1 412 1 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HB2 H . . . . . . . 4.6 . . . . . A . 16 LYS HA . . A . 16 LYS HB2 . . . 16 LYS+ HA . . . . . 16 LYS+ QB . . rr_1aqa 1 412 2 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HB3 H . . . . . . . 4.6 . . . . . A . 16 LYS HA . . A . 16 LYS HB3 . . . 16 LYS+ HA . . . . . 16 LYS+ QB . . rr_1aqa 1 413 1 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HG2 H . . . . . . . 6.6 . . . . . A . 16 LYS HA . . A . 16 LYS HG2 . . . 16 LYS+ HA . . . . . 16 LYS+ QG . . rr_1aqa 1 413 2 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HG3 H . . . . . . . 6.6 . . . . . A . 16 LYS HA . . A . 16 LYS HG3 . . . 16 LYS+ HA . . . . . 16 LYS+ QG . . rr_1aqa 1 414 1 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HE2 H . . . . . . . 6.6 . . . . . A . 16 LYS HA . . A . 16 LYS HE2 . . . 16 LYS+ HA . . . . . 16 LYS+ QE . . rr_1aqa 1 414 2 OR . 1 1 16 16 LYS HA H . . . 1 1 16 16 LYS HE3 H . . . . . . . 6.6 . . . . . A . 16 LYS HA . . A . 16 LYS HE3 . . . 16 LYS+ HA . . . . . 16 LYS+ QE . . rr_1aqa 1 415 1 . . 1 1 16 16 LYS HA H . . . 1 1 17 17 ASP H H . . . . . . . 4.1 . . . . . A . 16 LYS HA . . A . 17 ASP H . . . 16 LYS+ HA . . . . . 17 ASP- HN . . rr_1aqa 1 416 1 . . 1 1 16 16 LYS HA H . . . 1 1 21 21 THR HA H . . . . . . . 4.6 . . . . . A . 16 LYS HA . . A . 21 THR HA . . . 16 LYS+ HA . . . . . 21 THR HA . . rr_1aqa 1 417 1 . . 1 1 16 16 LYS HA H . . . 1 1 50 50 ALA MB H . . . . . . . 3.5 . . . . . A . 16 LYS HA . . A . 50 ALA MB . . . 16 LYS+ HA . . . . . 50 ALA QB . . rr_1aqa 1 418 1 OR . 1 1 16 16 LYS HB3 H . . . 1 1 16 16 LYS HG2 H . . . . . . . 5.5 . . . . . A . 16 LYS HB3 . . A . 16 LYS HG2 . . . 16 LYS+ QB . . . . . 16 LYS+ QG . . rr_1aqa 1 418 2 OR . 1 1 16 16 LYS HB2 H . . . 1 1 16 16 LYS HG2 H . . . . . . . 5.5 . . . . . A . 16 LYS HB2 . . A . 16 LYS HG2 . . . 16 LYS+ QB . . . . . 16 LYS+ QG . . rr_1aqa 1 418 3 OR . 1 1 16 16 LYS HG3 H . . . 1 1 16 16 LYS HB2 H . . . . . . . 5.5 . . . . . A . 16 LYS HG3 . . A . 16 LYS HB2 . . . 16 LYS+ QG . . . . . 16 LYS+ QB . . rr_1aqa 1 418 4 OR . 1 1 16 16 LYS HB3 H . . . 1 1 16 16 LYS HG3 H . . . . . . . 5.5 . . . . . A . 16 LYS HB3 . . A . 16 LYS HG3 . . . 16 LYS+ QB . . . . . 16 LYS+ QG . . rr_1aqa 1 419 1 OR . 1 1 16 16 LYS HB3 H . . . 1 1 16 16 LYS HE2 H . . . . . . . 7.4 . . . . . A . 16 LYS HB3 . . A . 16 LYS HE2 . . . 16 LYS+ QB . . . . . 16 LYS+ QE . . rr_1aqa 1 419 2 OR . 1 1 16 16 LYS HB2 H . . . 1 1 16 16 LYS HE2 H . . . . . . . 7.4 . . . . . A . 16 LYS HB2 . . A . 16 LYS HE2 . . . 16 LYS+ QB . . . . . 16 LYS+ QE . . rr_1aqa 1 419 3 OR . 1 1 16 16 LYS HE3 H . . . 1 1 16 16 LYS HB2 H . . . . . . . 7.4 . . . . . A . 16 LYS HE3 . . A . 16 LYS HB2 . . . 16 LYS+ QE . . . . . 16 LYS+ QB . . rr_1aqa 1 419 4 OR . 1 1 16 16 LYS HB3 H . . . 1 1 16 16 LYS HE3 H . . . . . . . 7.4 . . . . . A . 16 LYS HB3 . . A . 16 LYS HE3 . . . 16 LYS+ QB . . . . . 16 LYS+ QE . . rr_1aqa 1 420 1 OR . 1 1 50 50 ALA MB H . . . 1 1 16 16 LYS HB2 H . . . . . . . 4.8 . . . . . A . 50 ALA MB . . A . 16 LYS HB2 . . . 50 ALA QB . . . . . 16 LYS+ QB . . rr_1aqa 1 420 2 OR . 1 1 16 16 LYS HB3 H . . . 1 1 50 50 ALA MB H . . . . . . . 4.8 . . . . . A . 16 LYS HB3 . . A . 50 ALA MB . . . 16 LYS+ QB . . . . . 50 ALA QB . . rr_1aqa 1 421 1 OR . 1 1 16 16 LYS HE2 H . . . 1 1 16 16 LYS HG2 H . . . . . . . 7.3 . . . . . A . 16 LYS HE2 . . A . 16 LYS HG2 . . . 16 LYS+ QE . . . . . 16 LYS+ QG . . rr_1aqa 1 421 2 OR . 1 1 16 16 LYS HE3 H . . . 1 1 16 16 LYS HG2 H . . . . . . . 7.3 . . . . . A . 16 LYS HE3 . . A . 16 LYS HG2 . . . 16 LYS+ QE . . . . . 16 LYS+ QG . . rr_1aqa 1 421 3 OR . 1 1 16 16 LYS HG3 H . . . 1 1 16 16 LYS HE2 H . . . . . . . 7.3 . . . . . A . 16 LYS HG3 . . A . 16 LYS HE2 . . . 16 LYS+ QG . . . . . 16 LYS+ QE . . rr_1aqa 1 421 4 OR . 1 1 16 16 LYS HG3 H . . . 1 1 16 16 LYS HE3 H . . . . . . . 7.3 . . . . . A . 16 LYS HG3 . . A . 16 LYS HE3 . . . 16 LYS+ QG . . . . . 16 LYS+ QE . . rr_1aqa 1 422 1 OR . 1 1 50 50 ALA HA H . . . 1 1 16 16 LYS HG2 H . . . . . . . 5.5 . . . . . A . 50 ALA HA . . A . 16 LYS HG2 . . . 50 ALA HA . . . . . 16 LYS+ QG . . rr_1aqa 1 422 2 OR . 1 1 16 16 LYS HG3 H . . . 1 1 50 50 ALA HA H . . . . . . . 5.5 . . . . . A . 16 LYS HG3 . . A . 50 ALA HA . . . 16 LYS+ QG . . . . . 50 ALA HA . . rr_1aqa 1 423 1 OR . 1 1 50 50 ALA MB H . . . 1 1 16 16 LYS HG2 H . . . . . . . 7.7 . . . . . A . 50 ALA MB . . A . 16 LYS HG2 . . . 50 ALA QB . . . . . 16 LYS+ QG . . rr_1aqa 1 423 2 OR . 1 1 16 16 LYS HG3 H . . . 1 1 50 50 ALA MB H . . . . . . . 7.7 . . . . . A . 16 LYS HG3 . . A . 50 ALA MB . . . 16 LYS+ QG . . . . . 50 ALA QB . . rr_1aqa 1 424 1 OR . 1 1 51 51 GLY HA2 H . . . 1 1 16 16 LYS HG2 H . . . . . . . 6.9 . . . . . A . 51 GLY HA2 . . A . 16 LYS HG2 . . . 51 GLY HA1 . . . . . 16 LYS+ QG . . rr_1aqa 1 424 2 OR . 1 1 51 51 GLY HA2 H . . . 1 1 16 16 LYS HG3 H . . . . . . . 6.9 . . . . . A . 51 GLY HA2 . . A . 16 LYS HG3 . . . 51 GLY HA1 . . . . . 16 LYS+ QG . . rr_1aqa 1 425 1 . . 1 1 17 17 ASP H H . . . 1 1 17 17 ASP HA H . . . . . . . 4.0 . . . . . A . 17 ASP H . . A . 17 ASP HA . . . 17 ASP- HN . . . . . 17 ASP- HA . . rr_1aqa 1 426 1 . . 1 1 17 17 ASP H H . . . 1 1 17 17 ASP HB2 H . . . . . . . 4.5 . . . . . A . 17 ASP H . . A . 17 ASP HB2 . . . 17 ASP- HN . . . . . 17 ASP- HB2 . . rr_1aqa 1 427 1 . . 1 1 17 17 ASP H H . . . 1 1 17 17 ASP HB3 H . . . . . . . 4.7 . . . . . A . 17 ASP H . . A . 17 ASP HB3 . . . 17 ASP- HN . . . . . 17 ASP- HB3 . . rr_1aqa 1 428 1 . . 1 1 17 17 ASP H H . . . 1 1 50 50 ALA MB H . . . . . . . 5.6 . . . . . A . 17 ASP H . . A . 50 ALA MB . . . 17 ASP- HN . . . . . 50 ALA QB . . rr_1aqa 1 429 1 . . 1 1 17 17 ASP HB2 H . . . 1 1 17 17 ASP HA H . . . . . . . 3.1 . . . . . A . 17 ASP HB2 . . A . 17 ASP HA . . . 17 ASP- HB2 . . . . . 17 ASP- HA . . rr_1aqa 1 430 1 . . 1 1 17 17 ASP HB3 H . . . 1 1 17 17 ASP HA H . . . . . . . 3.2 . . . . . A . 17 ASP HB3 . . A . 17 ASP HA . . . 17 ASP- HB3 . . . . . 17 ASP- HA . . rr_1aqa 1 431 1 . . 1 1 17 17 ASP HA H . . . 1 1 21 21 THR HB H . . . . . . . 4.0 . . . . . A . 17 ASP HA . . A . 21 THR HB . . . 17 ASP- HA . . . . . 21 THR HB . . rr_1aqa 1 432 1 . . 1 1 17 17 ASP HB2 H . . . 1 1 18 18 SER HA H . . . . . . . 5.6 . . . . . A . 17 ASP HB2 . . A . 18 SER HA . . . 17 ASP- HB2 . . . . . 18 SER HA . . rr_1aqa 1 433 1 . . 1 1 17 17 ASP HB2 H . . . 1 1 19 19 LYS H H . . . . . . . 6.0 . . . . . A . 17 ASP HB2 . . A . 19 LYS H . . . 17 ASP- HB2 . . . . . 19 LYS+ HN . . rr_1aqa 1 434 1 OR . 1 1 17 17 ASP HB3 H . . . 1 1 18 18 SER HB2 H . . . . . . . 7.0 . . . . . A . 17 ASP HB3 . . A . 18 SER HB2 . . . 17 ASP- HB3 . . . . . 18 SER QB . . rr_1aqa 1 434 2 OR . 1 1 17 17 ASP HB3 H . . . 1 1 18 18 SER HB3 H . . . . . . . 7.0 . . . . . A . 17 ASP HB3 . . A . 18 SER HB3 . . . 17 ASP- HB3 . . . . . 18 SER QB . . rr_1aqa 1 435 1 . . 1 1 17 17 ASP HB3 H . . . 1 1 50 50 ALA MB H . . . . . . . 4.3 . . . . . A . 17 ASP HB3 . . A . 50 ALA MB . . . 17 ASP- HB3 . . . . . 50 ALA QB . . rr_1aqa 1 436 1 OR . 1 1 18 18 SER H H . . . 1 1 18 18 SER HB2 H . . . . . . . 5.1 . . . . . A . 18 SER H . . A . 18 SER HB2 . . . 18 SER HN . . . . . 18 SER QB . . rr_1aqa 1 436 2 OR . 1 1 18 18 SER HB3 H . . . 1 1 18 18 SER H H . . . . . . . 5.1 . . . . . A . 18 SER HB3 . . A . 18 SER H . . . 18 SER QB . . . . . 18 SER HN . . rr_1aqa 1 437 1 . . 1 1 19 19 LYS H H . . . 1 1 18 18 SER H H . . . . . . . 4.5 . . . . . A . 19 LYS H . . A . 18 SER H . . . 19 LYS+ HN . . . . . 18 SER HN . . rr_1aqa 1 438 1 OR . 1 1 18 18 SER H H . . . 1 1 19 19 LYS HB2 H . . . . . . . 5.4 . . . . . A . 18 SER H . . A . 19 LYS HB2 . . . 18 SER HN . . . . . 19 LYS+ QB . . rr_1aqa 1 438 2 OR . 1 1 18 18 SER H H . . . 1 1 19 19 LYS HB3 H . . . . . . . 5.4 . . . . . A . 18 SER H . . A . 19 LYS HB3 . . . 18 SER HN . . . . . 19 LYS+ QB . . rr_1aqa 1 439 1 OR . 1 1 18 18 SER HA H . . . 1 1 18 18 SER HB2 H . . . . . . . 5.0 . . . . . A . 18 SER HA . . A . 18 SER HB2 . . . 18 SER HA . . . . . 18 SER QB . . rr_1aqa 1 439 2 OR . 1 1 18 18 SER HA H . . . 1 1 18 18 SER HB3 H . . . . . . . 5.0 . . . . . A . 18 SER HA . . A . 18 SER HB3 . . . 18 SER HA . . . . . 18 SER QB . . rr_1aqa 1 440 1 . . 1 1 18 18 SER HA H . . . 1 1 33 33 THR HA H . . . . . . . 5.6 . . . . . A . 18 SER HA . . A . 33 THR HA . . . 18 SER HA . . . . . 33 THR HA . . rr_1aqa 1 441 1 OR . 1 1 18 18 SER HB3 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 8.0 . . . . . A . 18 SER HB3 . . A . 19 LYS HB2 . . . 18 SER QB . . . . . 19 LYS+ QB . . rr_1aqa 1 441 2 OR . 1 1 18 18 SER HB2 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 8.0 . . . . . A . 18 SER HB2 . . A . 19 LYS HB2 . . . 18 SER QB . . . . . 19 LYS+ QB . . rr_1aqa 1 441 3 OR . 1 1 19 19 LYS HB3 H . . . 1 1 18 18 SER HB2 H . . . . . . . 8.0 . . . . . A . 19 LYS HB3 . . A . 18 SER HB2 . . . 19 LYS+ QB . . . . . 18 SER QB . . rr_1aqa 1 441 4 OR . 1 1 18 18 SER HB3 H . . . 1 1 19 19 LYS HB3 H . . . . . . . 8.0 . . . . . A . 18 SER HB3 . . A . 19 LYS HB3 . . . 18 SER QB . . . . . 19 LYS+ QB . . rr_1aqa 1 442 1 OR . 1 1 20 20 SER H H . . . 1 1 18 18 SER HB2 H . . . . . . . 7.0 . . . . . A . 20 SER H . . A . 18 SER HB2 . . . 20 SER HN . . . . . 18 SER QB . . rr_1aqa 1 442 2 OR . 1 1 18 18 SER HB3 H . . . 1 1 20 20 SER H H . . . . . . . 7.0 . . . . . A . 18 SER HB3 . . A . 20 SER H . . . 18 SER QB . . . . . 20 SER HN . . rr_1aqa 1 443 1 . . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HA H . . . . . . . 4.0 . . . . . A . 19 LYS H . . A . 19 LYS HA . . . 19 LYS+ HN . . . . . 19 LYS+ HA . . rr_1aqa 1 444 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB2 H . . . . . . . 4.2 . . . . . A . 19 LYS H . . A . 19 LYS HB2 . . . 19 LYS+ HN . . . . . 19 LYS+ QB . . rr_1aqa 1 444 2 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB3 H . . . . . . . 4.2 . . . . . A . 19 LYS H . . A . 19 LYS HB3 . . . 19 LYS+ HN . . . . . 19 LYS+ QB . . rr_1aqa 1 445 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HG2 H . . . . . . . 7.0 . . . . . A . 19 LYS H . . A . 19 LYS HG2 . . . 19 LYS+ HN . . . . . 19 LYS+ QG . . rr_1aqa 1 445 2 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HG3 H . . . . . . . 7.0 . . . . . A . 19 LYS H . . A . 19 LYS HG3 . . . 19 LYS+ HN . . . . . 19 LYS+ QG . . rr_1aqa 1 446 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HD2 H . . . . . . . 5.8 . . . . . A . 19 LYS H . . A . 19 LYS HD2 . . . 19 LYS+ HN . . . . . 19 LYS+ QD . . rr_1aqa 1 446 2 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HD3 H . . . . . . . 5.8 . . . . . A . 19 LYS H . . A . 19 LYS HD3 . . . 19 LYS+ HN . . . . . 19 LYS+ QD . . rr_1aqa 1 447 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HE2 H . . . . . . . 5.9 . . . . . A . 19 LYS H . . A . 19 LYS HE2 . . . 19 LYS+ HN . . . . . 19 LYS+ QE . . rr_1aqa 1 447 2 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HE3 H . . . . . . . 5.9 . . . . . A . 19 LYS H . . A . 19 LYS HE3 . . . 19 LYS+ HN . . . . . 19 LYS+ QE . . rr_1aqa 1 448 1 . . 1 1 19 19 LYS H H . . . 1 1 20 20 SER H H . . . . . . . 3.6 . . . . . A . 19 LYS H . . A . 20 SER H . . . 19 LYS+ HN . . . . . 20 SER HN . . rr_1aqa 1 449 1 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HB2 H . . . . . . . 4.2 . . . . . A . 19 LYS HA . . A . 19 LYS HB2 . . . 19 LYS+ HA . . . . . 19 LYS+ QB . . rr_1aqa 1 449 2 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HA H . . . . . . . 4.2 . . . . . A . 19 LYS HB3 . . A . 19 LYS HA . . . 19 LYS+ QB . . . . . 19 LYS+ HA . . rr_1aqa 1 450 1 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HG2 H . . . . . . . 5.0 . . . . . A . 19 LYS HA . . A . 19 LYS HG2 . . . 19 LYS+ HA . . . . . 19 LYS+ QG . . rr_1aqa 1 450 2 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HG3 H . . . . . . . 5.0 . . . . . A . 19 LYS HA . . A . 19 LYS HG3 . . . 19 LYS+ HA . . . . . 19 LYS+ QG . . rr_1aqa 1 451 1 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HD2 H . . . . . . . 6.2 . . . . . A . 19 LYS HA . . A . 19 LYS HD2 . . . 19 LYS+ HA . . . . . 19 LYS+ QD . . rr_1aqa 1 451 2 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HD3 H . . . . . . . 6.2 . . . . . A . 19 LYS HA . . A . 19 LYS HD3 . . . 19 LYS+ HA . . . . . 19 LYS+ QD . . rr_1aqa 1 452 1 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HE2 H . . . . . . . 6.4 . . . . . A . 19 LYS HA . . A . 19 LYS HE2 . . . 19 LYS+ HA . . . . . 19 LYS+ QE . . rr_1aqa 1 452 2 OR . 1 1 19 19 LYS HA H . . . 1 1 19 19 LYS HE3 H . . . . . . . 6.4 . . . . . A . 19 LYS HA . . A . 19 LYS HE3 . . . 19 LYS+ HA . . . . . 19 LYS+ QE . . rr_1aqa 1 453 1 . . 1 1 20 20 SER H H . . . 1 1 19 19 LYS HA H . . . . . . . 3.5 . . . . . A . 20 SER H . . A . 19 LYS HA . . . 20 SER HN . . . . . 19 LYS+ HA . . rr_1aqa 1 454 1 . . 1 1 19 19 LYS HA H . . . 1 1 33 33 THR MG H . . . . . . . 5.4 . . . . . A . 19 LYS HA . . A . 33 THR MG . . . 19 LYS+ HA . . . . . 33 THR QG2 . . rr_1aqa 1 455 1 OR . 1 1 19 19 LYS HA H . . . 1 1 34 34 LYS HB2 H . . . . . . . 7.0 . . . . . A . 19 LYS HA . . A . 34 LYS HB2 . . . 19 LYS+ HA . . . . . 34 LYS+ QB . . rr_1aqa 1 455 2 OR . 1 1 19 19 LYS HA H . . . 1 1 34 34 LYS HB3 H . . . . . . . 7.0 . . . . . A . 19 LYS HA . . A . 34 LYS HB3 . . . 19 LYS+ HA . . . . . 34 LYS+ QB . . rr_1aqa 1 456 1 OR . 1 1 19 19 LYS HB2 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.6 . . . . . A . 19 LYS HB2 . . A . 19 LYS HG2 . . . 19 LYS+ QB . . . . . 19 LYS+ QG . . rr_1aqa 1 456 2 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.6 . . . . . A . 19 LYS HB3 . . A . 19 LYS HG2 . . . 19 LYS+ QB . . . . . 19 LYS+ QG . . rr_1aqa 1 456 3 OR . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 6.6 . . . . . A . 19 LYS HG3 . . A . 19 LYS HB2 . . . 19 LYS+ QG . . . . . 19 LYS+ QB . . rr_1aqa 1 456 4 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HG3 H . . . . . . . 6.6 . . . . . A . 19 LYS HB3 . . A . 19 LYS HG3 . . . 19 LYS+ QB . . . . . 19 LYS+ QG . . rr_1aqa 1 457 1 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HD2 H . . . . . . . 6.4 . . . . . A . 19 LYS HB3 . . A . 19 LYS HD2 . . . 19 LYS+ QB . . . . . 19 LYS+ QD . . rr_1aqa 1 457 2 OR . 1 1 19 19 LYS HB2 H . . . 1 1 19 19 LYS HD2 H . . . . . . . 6.4 . . . . . A . 19 LYS HB2 . . A . 19 LYS HD2 . . . 19 LYS+ QB . . . . . 19 LYS+ QD . . rr_1aqa 1 457 3 OR . 1 1 19 19 LYS HD3 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 6.4 . . . . . A . 19 LYS HD3 . . A . 19 LYS HB2 . . . 19 LYS+ QD . . . . . 19 LYS+ QB . . rr_1aqa 1 457 4 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HD3 H . . . . . . . 6.4 . . . . . A . 19 LYS HB3 . . A . 19 LYS HD3 . . . 19 LYS+ QB . . . . . 19 LYS+ QD . . rr_1aqa 1 458 1 OR . 1 1 19 19 LYS HB2 H . . . 1 1 19 19 LYS HE2 H . . . . . . . 8.0 . . . . . A . 19 LYS HB2 . . A . 19 LYS HE2 . . . 19 LYS+ QB . . . . . 19 LYS+ QE . . rr_1aqa 1 458 2 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HE2 H . . . . . . . 8.0 . . . . . A . 19 LYS HB3 . . A . 19 LYS HE2 . . . 19 LYS+ QB . . . . . 19 LYS+ QE . . rr_1aqa 1 458 3 OR . 1 1 19 19 LYS HE3 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 8.0 . . . . . A . 19 LYS HE3 . . A . 19 LYS HB2 . . . 19 LYS+ QE . . . . . 19 LYS+ QB . . rr_1aqa 1 458 4 OR . 1 1 19 19 LYS HB3 H . . . 1 1 19 19 LYS HE3 H . . . . . . . 8.0 . . . . . A . 19 LYS HB3 . . A . 19 LYS HE3 . . . 19 LYS+ QB . . . . . 19 LYS+ QE . . rr_1aqa 1 459 1 OR . 1 1 20 20 SER HB2 H . . . 1 1 19 19 LYS HB2 H . . . . . . . 7.0 . . . . . A . 20 SER HB2 . . A . 19 LYS HB2 . . . 20 SER HB2 . . . . . 19 LYS+ QB . . rr_1aqa 1 459 2 OR . 1 1 19 19 LYS HB3 H . . . 1 1 20 20 SER HB2 H . . . . . . . 7.0 . . . . . A . 19 LYS HB3 . . A . 20 SER HB2 . . . 19 LYS+ QB . . . . . 20 SER HB2 . . rr_1aqa 1 460 1 OR . 1 1 19 19 LYS HD2 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.7 . . . . . A . 19 LYS HD2 . . A . 19 LYS HG2 . . . 19 LYS+ QD . . . . . 19 LYS+ QG . . rr_1aqa 1 460 2 OR . 1 1 19 19 LYS HD3 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.7 . . . . . A . 19 LYS HD3 . . A . 19 LYS HG2 . . . 19 LYS+ QD . . . . . 19 LYS+ QG . . rr_1aqa 1 460 3 OR . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HD2 H . . . . . . . 6.7 . . . . . A . 19 LYS HG3 . . A . 19 LYS HD2 . . . 19 LYS+ QG . . . . . 19 LYS+ QD . . rr_1aqa 1 460 4 OR . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HD3 H . . . . . . . 6.7 . . . . . A . 19 LYS HG3 . . A . 19 LYS HD3 . . . 19 LYS+ QG . . . . . 19 LYS+ QD . . rr_1aqa 1 461 1 OR . 1 1 19 19 LYS HE2 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.6 . . . . . A . 19 LYS HE2 . . A . 19 LYS HG2 . . . 19 LYS+ QE . . . . . 19 LYS+ QG . . rr_1aqa 1 461 2 OR . 1 1 19 19 LYS HE3 H . . . 1 1 19 19 LYS HG2 H . . . . . . . 6.6 . . . . . A . 19 LYS HE3 . . A . 19 LYS HG2 . . . 19 LYS+ QE . . . . . 19 LYS+ QG . . rr_1aqa 1 461 3 OR . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HE2 H . . . . . . . 6.6 . . . . . A . 19 LYS HG3 . . A . 19 LYS HE2 . . . 19 LYS+ QG . . . . . 19 LYS+ QE . . rr_1aqa 1 461 4 OR . 1 1 19 19 LYS HG3 H . . . 1 1 19 19 LYS HE3 H . . . . . . . 6.6 . . . . . A . 19 LYS HG3 . . A . 19 LYS HE3 . . . 19 LYS+ QG . . . . . 19 LYS+ QE . . rr_1aqa 1 462 1 . . 1 1 20 20 SER HA H . . . 1 1 20 20 SER H H . . . . . . . 4.1 . . . . . A . 20 SER HA . . A . 20 SER H . . . 20 SER HA . . . . . 20 SER HN . . rr_1aqa 1 463 1 . . 1 1 20 20 SER H H . . . 1 1 20 20 SER HB2 H . . . . . . . 4.6 . . . . . A . 20 SER H . . A . 20 SER HB2 . . . 20 SER HN . . . . . 20 SER HB2 . . rr_1aqa 1 464 1 . . 1 1 20 20 SER H H . . . 1 1 20 20 SER HB3 H . . . . . . . 4.2 . . . . . A . 20 SER H . . A . 20 SER HB3 . . . 20 SER HN . . . . . 20 SER HB3 . . rr_1aqa 1 465 1 . . 1 1 21 21 THR H H . . . 1 1 20 20 SER H H . . . . . . . 4.6 . . . . . A . 21 THR H . . A . 20 SER H . . . 21 THR HN . . . . . 20 SER HN . . rr_1aqa 1 466 1 . . 1 1 20 20 SER HA H . . . 1 1 20 20 SER HB2 H . . . . . . . 3.9 . . . . . A . 20 SER HA . . A . 20 SER HB2 . . . 20 SER HA . . . . . 20 SER HB2 . . rr_1aqa 1 467 1 . . 1 1 20 20 SER HA H . . . 1 1 20 20 SER HB3 H . . . . . . . 4.4 . . . . . A . 20 SER HA . . A . 20 SER HB3 . . . 20 SER HA . . . . . 20 SER HB3 . . rr_1aqa 1 468 1 . . 1 1 20 20 SER HA H . . . 1 1 21 21 THR H H . . . . . . . 3.6 . . . . . A . 20 SER HA . . A . 21 THR H . . . 20 SER HA . . . . . 21 THR HN . . rr_1aqa 1 469 1 . . 1 1 20 20 SER HA H . . . 1 1 21 21 THR HB H . . . . . . . 5.5 . . . . . A . 20 SER HA . . A . 21 THR HB . . . 20 SER HA . . . . . 21 THR HB . . rr_1aqa 1 470 1 . . 1 1 20 20 SER HA H . . . 1 1 33 33 THR MG H . . . . . . . 4.6 . . . . . A . 20 SER HA . . A . 33 THR MG . . . 20 SER HA . . . . . 33 THR QG2 . . rr_1aqa 1 471 1 . . 1 1 21 21 THR H H . . . 1 1 21 21 THR HB H . . . . . . . 3.6 . . . . . A . 21 THR H . . A . 21 THR HB . . . 21 THR HN . . . . . 21 THR HB . . rr_1aqa 1 472 1 . . 1 1 21 21 THR H H . . . 1 1 21 21 THR MG H . . . . . . . 4.6 . . . . . A . 21 THR H . . A . 21 THR MG . . . 21 THR HN . . . . . 21 THR QG2 . . rr_1aqa 1 473 1 . . 1 1 21 21 THR H H . . . 1 1 22 22 TRP H H . . . . . . . 4.6 . . . . . A . 21 THR H . . A . 22 TRP H . . . 21 THR HN . . . . . 22 TRP HN . . rr_1aqa 1 474 1 . . 1 1 21 21 THR H H . . . 1 1 31 31 ASP HA H . . . . . . . 4.0 . . . . . A . 21 THR H . . A . 31 ASP HA . . . 21 THR HN . . . . . 31 ASP- HA . . rr_1aqa 1 475 1 . . 1 1 21 21 THR H H . . . 1 1 32 32 LEU HA H . . . . . . . 5.6 . . . . . A . 21 THR H . . A . 32 LEU HA . . . 21 THR HN . . . . . 32 LEU HA . . rr_1aqa 1 476 1 . . 1 1 21 21 THR H H . . . 1 1 33 33 THR H H . . . . . . . 4.2 . . . . . A . 21 THR H . . A . 33 THR H . . . 21 THR HN . . . . . 33 THR HN . . rr_1aqa 1 477 1 . . 1 1 21 21 THR H H . . . 1 1 33 33 THR HA H . . . . . . . 4.7 . . . . . A . 21 THR H . . A . 33 THR HA . . . 21 THR HN . . . . . 33 THR HA . . rr_1aqa 1 478 1 . . 1 1 21 21 THR H H . . . 1 1 33 33 THR MG H . . . . . . . 6.8 . . . . . A . 21 THR H . . A . 33 THR MG . . . 21 THR HN . . . . . 33 THR QG2 . . rr_1aqa 1 479 1 . . 1 1 21 21 THR HA H . . . 1 1 21 21 THR HB H . . . . . . . 5.0 . . . . . A . 21 THR HA . . A . 21 THR HB . . . 21 THR HA . . . . . 21 THR HB . . rr_1aqa 1 480 1 . . 1 1 21 21 THR HA H . . . 1 1 21 21 THR MG H . . . . . . . 4.6 . . . . . A . 21 THR HA . . A . 21 THR MG . . . 21 THR HA . . . . . 21 THR QG2 . . rr_1aqa 1 481 1 . . 1 1 21 21 THR HA H . . . 1 1 22 22 TRP H H . . . . . . . 4.2 . . . . . A . 21 THR HA . . A . 22 TRP H . . . 21 THR HA . . . . . 22 TRP HN . . rr_1aqa 1 482 1 . . 1 1 21 21 THR HA H . . . 1 1 32 32 LEU H H . . . . . . . 5.4 . . . . . A . 21 THR HA . . A . 32 LEU H . . . 21 THR HA . . . . . 32 LEU HN . . rr_1aqa 1 483 1 . . 1 1 21 21 THR HA H . . . 1 1 50 50 ALA MB H . . . . . . . 6.1 . . . . . A . 21 THR HA . . A . 50 ALA MB . . . 21 THR HA . . . . . 50 ALA QB . . rr_1aqa 1 484 1 . . 1 1 21 21 THR HB H . . . 1 1 21 21 THR MG H . . . . . . . 3.4 . . . . . A . 21 THR HB . . A . 21 THR MG . . . 21 THR HB . . . . . 21 THR QG2 . . rr_1aqa 1 485 1 . . 1 1 22 22 TRP H H . . . 1 1 21 21 THR HB H . . . . . . . 5.1 . . . . . A . 22 TRP H . . A . 21 THR HB . . . 22 TRP HN . . . . . 21 THR HB . . rr_1aqa 1 486 1 . . 1 1 21 21 THR HB H . . . 1 1 32 32 LEU H H . . . . . . . 6.0 . . . . . A . 21 THR HB . . A . 32 LEU H . . . 21 THR HB . . . . . 32 LEU HN . . rr_1aqa 1 487 1 . . 1 1 21 21 THR HB H . . . 1 1 33 33 THR H H . . . . . . . 6.0 . . . . . A . 21 THR HB . . A . 33 THR H . . . 21 THR HB . . . . . 33 THR HN . . rr_1aqa 1 488 1 . . 1 1 21 21 THR HB H . . . 1 1 36 36 LEU MD1 H . . . . . . . 6.5 . . . . . A . 21 THR HB . . A . 36 LEU MD1 . . . 21 THR HB . . . . . 36 LEU QD1 . . rr_1aqa 1 489 1 . . 1 1 22 22 TRP H H . . . 1 1 21 21 THR MG H . . . . . . . 7.0 . . . . . A . 22 TRP H . . A . 21 THR MG . . . 22 TRP HN . . . . . 21 THR QG2 . . rr_1aqa 1 490 1 . . 1 1 21 21 THR MG H . . . 1 1 22 22 TRP HA H . . . . . . . 7.0 . . . . . A . 21 THR MG . . A . 22 TRP HA . . . 21 THR QG2 . . . . . 22 TRP HA . . rr_1aqa 1 491 1 . . 1 1 21 21 THR MG H . . . 1 1 36 36 LEU MD2 H . . . . . . . 5.8 . . . . . A . 21 THR MG . . A . 36 LEU MD2 . . . 21 THR QG2 . . . . . 36 LEU QD2 . . rr_1aqa 1 492 1 . . 1 1 21 21 THR MG H . . . 1 1 46 46 LEU HB3 H . . . . . . . 5.2 . . . . . A . 21 THR MG . . A . 46 LEU HB3 . . . 21 THR QG2 . . . . . 46 LEU HB3 . . rr_1aqa 1 493 1 . . 1 1 21 21 THR MG H . . . 1 1 46 46 LEU MD2 H . . . . . . . 6.6 . . . . . A . 21 THR MG . . A . 46 LEU MD2 . . . 21 THR QG2 . . . . . 46 LEU QD2 . . rr_1aqa 1 494 1 . . 1 1 50 50 ALA HA H . . . 1 1 21 21 THR MG H . . . . . . . 5.5 . . . . . A . 50 ALA HA . . A . 21 THR MG . . . 50 ALA HA . . . . . 21 THR QG2 . . rr_1aqa 1 495 1 . . 1 1 50 50 ALA MB H . . . 1 1 21 21 THR MG H . . . . . . . 4.4 . . . . . A . 50 ALA MB . . A . 21 THR MG . . . 50 ALA QB . . . . . 21 THR QG2 . . rr_1aqa 1 496 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HA H . . . . . . . 4.9 . . . . . A . 22 TRP H . . A . 22 TRP HA . . . 22 TRP HN . . . . . 22 TRP HA . . rr_1aqa 1 497 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 22 22 TRP H H . . . . . . . 4.7 . . . . . A . 22 TRP HB2 . . A . 22 TRP H . . . 22 TRP HB2 . . . . . 22 TRP HN . . rr_1aqa 1 498 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HB3 H . . . . . . . 5.7 . . . . . A . 22 TRP H . . A . 22 TRP HB3 . . . 22 TRP HN . . . . . 22 TRP HB3 . . rr_1aqa 1 499 1 . . 1 1 22 22 TRP H H . . . 1 1 31 31 ASP HA H . . . . . . . 5.0 . . . . . A . 22 TRP H . . A . 31 ASP HA . . . 22 TRP HN . . . . . 31 ASP- HA . . rr_1aqa 1 500 1 . . 1 1 22 22 TRP H H . . . 1 1 50 50 ALA HA H . . . . . . . 4.7 . . . . . A . 22 TRP H . . A . 50 ALA HA . . . 22 TRP HN . . . . . 50 ALA HA . . rr_1aqa 1 501 1 . . 1 1 22 22 TRP H H . . . 1 1 50 50 ALA MB H . . . . . . . 6.7 . . . . . A . 22 TRP H . . A . 50 ALA MB . . . 22 TRP HN . . . . . 50 ALA QB . . rr_1aqa 1 502 1 . . 1 1 22 22 TRP H H . . . 1 1 51 51 GLY H H . . . . . . . 4.6 . . . . . A . 22 TRP H . . A . 51 GLY H . . . 22 TRP HN . . . . . 51 GLY HN . . rr_1aqa 1 503 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 22 22 TRP HA H . . . . . . . 4.2 . . . . . A . 22 TRP HB2 . . A . 22 TRP HA . . . 22 TRP HB2 . . . . . 22 TRP HA . . rr_1aqa 1 504 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HB3 H . . . . . . . 3.7 . . . . . A . 22 TRP HA . . A . 22 TRP HB3 . . . 22 TRP HA . . . . . 22 TRP HB3 . . rr_1aqa 1 505 1 . . 1 1 22 22 TRP HA H . . . 1 1 23 23 VAL H H . . . . . . . 3.3 . . . . . A . 22 TRP HA . . A . 23 VAL H . . . 22 TRP HA . . . . . 23 VAL HN . . rr_1aqa 1 506 1 . . 1 1 23 23 VAL HA H . . . 1 1 22 22 TRP HA H . . . . . . . 5.9 . . . . . A . 23 VAL HA . . A . 22 TRP HA . . . 23 VAL HA . . . . . 22 TRP HA . . rr_1aqa 1 507 1 . . 1 1 22 22 TRP HA H . . . 1 1 23 23 VAL MG1 H . . . . . . . 7.0 . . . . . A . 22 TRP HA . . A . 23 VAL MG1 . . . 22 TRP HA . . . . . 23 VAL QG1 . . rr_1aqa 1 508 1 . . 1 1 31 31 ASP HA H . . . 1 1 22 22 TRP HA H . . . . . . . 3.3 . . . . . A . 31 ASP HA . . A . 22 TRP HA . . . 31 ASP- HA . . . . . 22 TRP HA . . rr_1aqa 1 509 1 . . 1 1 32 32 LEU H H . . . 1 1 22 22 TRP HA H . . . . . . . 4.7 . . . . . A . 32 LEU H . . A . 22 TRP HA . . . 32 LEU HN . . . . . 22 TRP HA . . rr_1aqa 1 510 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 22 22 TRP HB2 H . . . . . . . 4.7 . . . . . A . 22 TRP HE3 . . A . 22 TRP HB2 . . . 22 TRP HE3 . . . . . 22 TRP HB2 . . rr_1aqa 1 511 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 23 23 VAL H H . . . . . . . 4.8 . . . . . A . 22 TRP HB2 . . A . 23 VAL H . . . 22 TRP HB2 . . . . . 23 VAL HN . . rr_1aqa 1 512 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 22 22 TRP HB2 H . . . . . . . 5.3 . . . . . A . 29 VAL MG1 . . A . 22 TRP HB2 . . . 29 VAL QG1 . . . . . 22 TRP HB2 . . rr_1aqa 1 513 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 31 31 ASP HA H . . . . . . . 5.8 . . . . . A . 22 TRP HB2 . . A . 31 ASP HA . . . 22 TRP HB2 . . . . . 31 ASP- HA . . rr_1aqa 1 514 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 33 33 THR H H . . . . . . . 6.0 . . . . . A . 22 TRP HB2 . . A . 33 THR H . . . 22 TRP HB2 . . . . . 33 THR HN . . rr_1aqa 1 515 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 51 51 GLY H H . . . . . . . 6.0 . . . . . A . 22 TRP HB2 . . A . 51 GLY H . . . 22 TRP HB2 . . . . . 51 GLY HN . . rr_1aqa 1 516 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 22 22 TRP HB2 H . . . . . . . 5.3 . . . . . A . 79 LEU MD1 . . A . 22 TRP HB2 . . . 79 LEU QD1 . . . . . 22 TRP HB2 . . rr_1aqa 1 517 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 22 22 TRP HB3 H . . . . . . . 4.2 . . . . . A . 22 TRP HE3 . . A . 22 TRP HB3 . . . 22 TRP HE3 . . . . . 22 TRP HB3 . . rr_1aqa 1 518 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 22 22 TRP HB3 H . . . . . . . 4.9 . . . . . A . 29 VAL MG1 . . A . 22 TRP HB3 . . . 29 VAL QG1 . . . . . 22 TRP HB3 . . rr_1aqa 1 519 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 22 22 TRP HE3 H . . . . . . . 3.7 . . . . . A . 22 TRP HZ3 . . A . 22 TRP HE3 . . . 22 TRP HZ3 . . . . . 22 TRP HE3 . . rr_1aqa 1 520 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 22 22 TRP HH2 H . . . . . . . 4.0 . . . . . A . 22 TRP HE3 . . A . 22 TRP HH2 . . . 22 TRP HE3 . . . . . 22 TRP HH2 . . rr_1aqa 1 521 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 4.1 . . . . . A . 22 TRP HE3 . . A . 29 VAL MG1 . . . 22 TRP HE3 . . . . . 29 VAL QG1 . . rr_1aqa 1 522 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 22 22 TRP HE3 H . . . . . . . 7.0 . . . . . A . 29 VAL MG2 . . A . 22 TRP HE3 . . . 29 VAL QG2 . . . . . 22 TRP HE3 . . rr_1aqa 1 523 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 76 76 ILE MD H . . . . . . . 5.1 . . . . . A . 22 TRP HE3 . . A . 76 ILE MD . . . 22 TRP HE3 . . . . . 76 ILE QD1 . . rr_1aqa 1 524 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 22 22 TRP HH2 H . . . . . . . 4.2 . . . . . A . 22 TRP HZ3 . . A . 22 TRP HH2 . . . 22 TRP HZ3 . . . . . 22 TRP HH2 . . rr_1aqa 1 525 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 5.2 . . . . . A . 22 TRP HZ3 . . A . 29 VAL MG1 . . . 22 TRP HZ3 . . . . . 29 VAL QG1 . . rr_1aqa 1 526 1 . . 1 1 22 22 TRP HZ3 H . . . 1 1 76 76 ILE MD H . . . . . . . 6.9 . . . . . A . 22 TRP HZ3 . . A . 76 ILE MD . . . 22 TRP HZ3 . . . . . 76 ILE QD1 . . rr_1aqa 1 527 1 . . 1 1 22 22 TRP HH2 H . . . 1 1 76 76 ILE MD H . . . . . . . 6.6 . . . . . A . 22 TRP HH2 . . A . 76 ILE MD . . . 22 TRP HH2 . . . . . 76 ILE QD1 . . rr_1aqa 1 528 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL H H . . . . . . . 3.9 . . . . . A . 23 VAL HA . . A . 23 VAL H . . . 23 VAL HA . . . . . 23 VAL HN . . rr_1aqa 1 529 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL HB H . . . . . . . 5.0 . . . . . A . 23 VAL H . . A . 23 VAL HB . . . 23 VAL HN . . . . . 23 VAL HB . . rr_1aqa 1 530 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL MG1 H . . . . . . . 5.1 . . . . . A . 23 VAL H . . A . 23 VAL MG1 . . . 23 VAL HN . . . . . 23 VAL QG1 . . rr_1aqa 1 531 1 . . 1 1 23 23 VAL H H . . . 1 1 23 23 VAL MG2 H . . . . . . . 3.9 . . . . . A . 23 VAL H . . A . 23 VAL MG2 . . . 23 VAL HN . . . . . 23 VAL QG2 . . rr_1aqa 1 532 1 . . 1 1 24 24 ILE HA H . . . 1 1 23 23 VAL H H . . . . . . . 4.5 . . . . . A . 24 ILE HA . . A . 23 VAL H . . . 24 ILE HA . . . . . 23 VAL HN . . rr_1aqa 1 533 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 23 23 VAL H H . . . . . . . 6.8 . . . . . A . 29 VAL MG1 . . A . 23 VAL H . . . 29 VAL QG1 . . . . . 23 VAL HN . . rr_1aqa 1 534 1 . . 1 1 23 23 VAL H H . . . 1 1 30 30 TYR H H . . . . . . . 3.4 . . . . . A . 23 VAL H . . A . 30 TYR H . . . 23 VAL HN . . . . . 30 TYR HN . . rr_1aqa 1 535 1 . . 1 1 23 23 VAL H H . . . 1 1 30 30 TYR HA H . . . . . . . 5.0 . . . . . A . 23 VAL H . . A . 30 TYR HA . . . 23 VAL HN . . . . . 30 TYR HA . . rr_1aqa 1 536 1 . . 1 1 31 31 ASP HA H . . . 1 1 23 23 VAL H H . . . . . . . 4.6 . . . . . A . 31 ASP HA . . A . 23 VAL H . . . 31 ASP- HA . . . . . 23 VAL HN . . rr_1aqa 1 537 1 . . 1 1 23 23 VAL H H . . . 1 1 32 32 LEU MD1 H . . . . . . . 6.2 . . . . . A . 23 VAL H . . A . 32 LEU MD1 . . . 23 VAL HN . . . . . 32 LEU QD1 . . rr_1aqa 1 538 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL HB H . . . . . . . 3.4 . . . . . A . 23 VAL HA . . A . 23 VAL HB . . . 23 VAL HA . . . . . 23 VAL HB . . rr_1aqa 1 539 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL MG1 H . . . . . . . 3.9 . . . . . A . 23 VAL HA . . A . 23 VAL MG1 . . . 23 VAL HA . . . . . 23 VAL QG1 . . rr_1aqa 1 540 1 . . 1 1 23 23 VAL HA H . . . 1 1 23 23 VAL MG2 H . . . . . . . 4.5 . . . . . A . 23 VAL HA . . A . 23 VAL MG2 . . . 23 VAL HA . . . . . 23 VAL QG2 . . rr_1aqa 1 541 1 . . 1 1 24 24 ILE H H . . . 1 1 23 23 VAL HA H . . . . . . . 3.5 . . . . . A . 24 ILE H . . A . 23 VAL HA . . . 24 ILE HN . . . . . 23 VAL HA . . rr_1aqa 1 542 1 . . 1 1 24 24 ILE HA H . . . 1 1 23 23 VAL HA H . . . . . . . 6.0 . . . . . A . 24 ILE HA . . A . 23 VAL HA . . . 24 ILE HA . . . . . 23 VAL HA . . rr_1aqa 1 543 1 . . 1 1 23 23 VAL HA H . . . 1 1 32 32 LEU MD1 H . . . . . . . 5.6 . . . . . A . 23 VAL HA . . A . 32 LEU MD1 . . . 23 VAL HA . . . . . 32 LEU QD1 . . rr_1aqa 1 544 1 . . 1 1 23 23 VAL HA H . . . 1 1 50 50 ALA HA H . . . . . . . 4.3 . . . . . A . 23 VAL HA . . A . 50 ALA HA . . . 23 VAL HA . . . . . 50 ALA HA . . rr_1aqa 1 545 1 . . 1 1 23 23 VAL HA H . . . 1 1 51 51 GLY H H . . . . . . . 3.9 . . . . . A . 23 VAL HA . . A . 51 GLY H . . . 23 VAL HA . . . . . 51 GLY HN . . rr_1aqa 1 546 1 . . 1 1 23 23 VAL HA H . . . 1 1 52 52 GLY H H . . . . . . . 4.3 . . . . . A . 23 VAL HA . . A . 52 GLY H . . . 23 VAL HA . . . . . 52 GLY HN . . rr_1aqa 1 547 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 23 23 VAL HB H . . . . . . . 4.3 . . . . . A . 23 VAL MG1 . . A . 23 VAL HB . . . 23 VAL QG1 . . . . . 23 VAL HB . . rr_1aqa 1 548 1 . . 1 1 23 23 VAL HB H . . . 1 1 23 23 VAL MG2 H . . . . . . . 4.3 . . . . . A . 23 VAL HB . . A . 23 VAL MG2 . . . 23 VAL HB . . . . . 23 VAL QG2 . . rr_1aqa 1 549 1 . . 1 1 24 24 ILE H H . . . 1 1 23 23 VAL HB H . . . . . . . 3.8 . . . . . A . 24 ILE H . . A . 23 VAL HB . . . 24 ILE HN . . . . . 23 VAL HB . . rr_1aqa 1 550 1 . . 1 1 23 23 VAL HB H . . . 1 1 25 25 LEU MD2 H . . . . . . . 7.0 . . . . . A . 23 VAL HB . . A . 25 LEU MD2 . . . 23 VAL HB . . . . . 25 LEU QD2 . . rr_1aqa 1 551 1 . . 1 1 23 23 VAL HB H . . . 1 1 29 29 VAL HA H . . . . . . . 6.0 . . . . . A . 23 VAL HB . . A . 29 VAL HA . . . 23 VAL HB . . . . . 29 VAL HA . . rr_1aqa 1 552 1 . . 1 1 23 23 VAL HB H . . . 1 1 54 54 ALA MB H . . . . . . . 5.3 . . . . . A . 23 VAL HB . . A . 54 ALA MB . . . 23 VAL HB . . . . . 54 ALA QB . . rr_1aqa 1 553 1 . . 1 1 24 24 ILE H H . . . 1 1 23 23 VAL MG1 H . . . . . . . 7.0 . . . . . A . 24 ILE H . . A . 23 VAL MG1 . . . 24 ILE HN . . . . . 23 VAL QG1 . . rr_1aqa 1 554 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 25 25 LEU MD1 H . . . . . . . 6.9 . . . . . A . 23 VAL MG1 . . A . 25 LEU MD1 . . . 23 VAL QG1 . . . . . 25 LEU QD1 . . rr_1aqa 1 555 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 30 30 TYR CG C . . . . . . . 9.0 . . . . . A . 23 VAL MG1 . . A . 30 TYR CG . . . 23 VAL QG1 . . . . . 30 TYR CG . . rr_1aqa 1 556 1 . . 1 1 32 32 LEU H H . . . 1 1 23 23 VAL MG1 H . . . . . . . 5.4 . . . . . A . 32 LEU H . . A . 23 VAL MG1 . . . 32 LEU HN . . . . . 23 VAL QG1 . . rr_1aqa 1 557 1 OR . 1 1 23 23 VAL MG1 H . . . 1 1 32 32 LEU HB2 H . . . . . . . 5.7 . . . . . A . 23 VAL MG1 . . A . 32 LEU HB2 . . . 23 VAL QG1 . . . . . 32 LEU QB . . rr_1aqa 1 557 2 OR . 1 1 23 23 VAL MG1 H . . . 1 1 32 32 LEU HB3 H . . . . . . . 5.7 . . . . . A . 23 VAL MG1 . . A . 32 LEU HB3 . . . 23 VAL QG1 . . . . . 32 LEU QB . . rr_1aqa 1 558 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 23 23 VAL MG1 H . . . . . . . 5.7 . . . . . A . 46 LEU HB3 . . A . 23 VAL MG1 . . . 46 LEU HB3 . . . . . 23 VAL QG1 . . rr_1aqa 1 559 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 23 23 VAL MG1 H . . . . . . . 7.1 . . . . . A . 46 LEU MD2 . . A . 23 VAL MG1 . . . 46 LEU QD2 . . . . . 23 VAL QG1 . . rr_1aqa 1 560 1 OR . 1 1 23 23 VAL MG1 H . . . 1 1 49 49 GLN HB2 H . . . . . . . 8.0 . . . . . A . 23 VAL MG1 . . A . 49 GLN HB2 . . . 23 VAL QG1 . . . . . 49 GLN QB . . rr_1aqa 1 560 2 OR . 1 1 23 23 VAL MG1 H . . . 1 1 49 49 GLN HB3 H . . . . . . . 8.0 . . . . . A . 23 VAL MG1 . . A . 49 GLN HB3 . . . 23 VAL QG1 . . . . . 49 GLN QB . . rr_1aqa 1 561 1 OR . 1 1 23 23 VAL MG1 H . . . 1 1 49 49 GLN HG2 H . . . . . . . 8.0 . . . . . A . 23 VAL MG1 . . A . 49 GLN HG2 . . . 23 VAL QG1 . . . . . 49 GLN QG . . rr_1aqa 1 561 2 OR . 1 1 23 23 VAL MG1 H . . . 1 1 49 49 GLN HG3 H . . . . . . . 8.0 . . . . . A . 23 VAL MG1 . . A . 49 GLN HG3 . . . 23 VAL QG1 . . . . . 49 GLN QG . . rr_1aqa 1 562 1 . . 1 1 50 50 ALA HA H . . . 1 1 23 23 VAL MG1 H . . . . . . . 4.4 . . . . . A . 50 ALA HA . . A . 23 VAL MG1 . . . 50 ALA HA . . . . . 23 VAL QG1 . . rr_1aqa 1 563 1 . . 1 1 50 50 ALA MB H . . . 1 1 23 23 VAL MG1 H . . . . . . . 6.1 . . . . . A . 50 ALA MB . . A . 23 VAL MG1 . . . 50 ALA QB . . . . . 23 VAL QG1 . . rr_1aqa 1 564 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 54 54 ALA HA H . . . . . . . 7.0 . . . . . A . 23 VAL MG1 . . A . 54 ALA HA . . . 23 VAL QG1 . . . . . 54 ALA HA . . rr_1aqa 1 565 1 . . 1 1 23 23 VAL MG1 H . . . 1 1 54 54 ALA MB H . . . . . . . 5.7 . . . . . A . 23 VAL MG1 . . A . 54 ALA MB . . . 23 VAL QG1 . . . . . 54 ALA QB . . rr_1aqa 1 566 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 25 25 LEU MD1 H . . . . . . . 6.9 . . . . . A . 23 VAL MG2 . . A . 25 LEU MD1 . . . 23 VAL QG2 . . . . . 25 LEU QD1 . . rr_1aqa 1 567 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 25 25 LEU MD2 H . . . . . . . 6.6 . . . . . A . 23 VAL MG2 . . A . 25 LEU MD2 . . . 23 VAL QG2 . . . . . 25 LEU QD2 . . rr_1aqa 1 568 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 30 30 TYR H H . . . . . . . 5.5 . . . . . A . 23 VAL MG2 . . A . 30 TYR H . . . 23 VAL QG2 . . . . . 30 TYR HN . . rr_1aqa 1 569 1 OR . 1 1 23 23 VAL MG2 H . . . 1 1 30 30 TYR HB2 H . . . . . . . 6.8 . . . . . A . 23 VAL MG2 . . A . 30 TYR HB2 . . . 23 VAL QG2 . . . . . 30 TYR QB . . rr_1aqa 1 569 2 OR . 1 1 23 23 VAL MG2 H . . . 1 1 30 30 TYR HB3 H . . . . . . . 6.8 . . . . . A . 23 VAL MG2 . . A . 30 TYR HB3 . . . 23 VAL QG2 . . . . . 30 TYR QB . . rr_1aqa 1 570 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 30 30 TYR CG C . . . . . . . 8.5 . . . . . A . 23 VAL MG2 . . A . 30 TYR CG . . . 23 VAL QG2 . . . . . 30 TYR CG . . rr_1aqa 1 571 1 . . 1 1 50 50 ALA MB H . . . 1 1 23 23 VAL MG2 H . . . . . . . 7.2 . . . . . A . 50 ALA MB . . A . 23 VAL MG2 . . . 50 ALA QB . . . . . 23 VAL QG2 . . rr_1aqa 1 572 1 . . 1 1 23 23 VAL MG2 H . . . 1 1 54 54 ALA MB H . . . . . . . 5.5 . . . . . A . 23 VAL MG2 . . A . 54 ALA MB . . . 23 VAL QG2 . . . . . 54 ALA QB . . rr_1aqa 1 573 1 . . 1 1 24 24 ILE H H . . . 1 1 24 24 ILE HA H . . . . . . . 5.0 . . . . . A . 24 ILE H . . A . 24 ILE HA . . . 24 ILE HN . . . . . 24 ILE HA . . rr_1aqa 1 574 1 . . 1 1 24 24 ILE H H . . . 1 1 24 24 ILE HB H . . . . . . . 3.9 . . . . . A . 24 ILE H . . A . 24 ILE HB . . . 24 ILE HN . . . . . 24 ILE HB . . rr_1aqa 1 575 1 . . 1 1 24 24 ILE H H . . . 1 1 25 25 LEU H H . . . . . . . 4.4 . . . . . A . 24 ILE H . . A . 25 LEU H . . . 24 ILE HN . . . . . 25 LEU HN . . rr_1aqa 1 576 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 24 24 ILE H H . . . . . . . 6.1 . . . . . A . 29 VAL MG1 . . A . 24 ILE H . . . 29 VAL QG1 . . . . . 24 ILE HN . . rr_1aqa 1 577 1 . . 1 1 24 24 ILE H H . . . 1 1 53 53 ASP HA H . . . . . . . 3.5 . . . . . A . 24 ILE H . . A . 53 ASP HA . . . 24 ILE HN . . . . . 53 ASP- HA . . rr_1aqa 1 578 1 . . 1 1 24 24 ILE H H . . . 1 1 53 53 ASP HB3 H . . . . . . . 6.0 . . . . . A . 24 ILE H . . A . 53 ASP HB3 . . . 24 ILE HN . . . . . 53 ASP- HB3 . . rr_1aqa 1 579 1 . . 1 1 24 24 ILE H H . . . 1 1 54 54 ALA H H . . . . . . . 4.7 . . . . . A . 24 ILE H . . A . 54 ALA H . . . 24 ILE HN . . . . . 54 ALA HN . . rr_1aqa 1 580 1 . . 1 1 24 24 ILE H H . . . 1 1 54 54 ALA MB H . . . . . . . 7.0 . . . . . A . 24 ILE H . . A . 54 ALA MB . . . 24 ILE HN . . . . . 54 ALA QB . . rr_1aqa 1 581 1 . . 1 1 24 24 ILE HA H . . . 1 1 24 24 ILE HB H . . . . . . . 4.4 . . . . . A . 24 ILE HA . . A . 24 ILE HB . . . 24 ILE HA . . . . . 24 ILE HB . . rr_1aqa 1 582 1 . . 1 1 24 24 ILE HA H . . . 1 1 25 25 LEU H H . . . . . . . 3.2 . . . . . A . 24 ILE HA . . A . 25 LEU H . . . 24 ILE HA . . . . . 25 LEU HN . . rr_1aqa 1 583 1 . . 1 1 24 24 ILE HA H . . . 1 1 28 28 LYS H H . . . . . . . 5.8 . . . . . A . 24 ILE HA . . A . 28 LYS H . . . 24 ILE HA . . . . . 28 LYS+ HN . . rr_1aqa 1 584 1 . . 1 1 24 24 ILE HA H . . . 1 1 29 29 VAL HA H . . . . . . . 4.0 . . . . . A . 24 ILE HA . . A . 29 VAL HA . . . 24 ILE HA . . . . . 29 VAL HA . . rr_1aqa 1 585 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 24 24 ILE HA H . . . . . . . 7.0 . . . . . A . 29 VAL MG1 . . A . 24 ILE HA . . . 29 VAL QG1 . . . . . 24 ILE HA . . rr_1aqa 1 586 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 24 24 ILE HA H . . . . . . . 7.0 . . . . . A . 29 VAL MG2 . . A . 24 ILE HA . . . 29 VAL QG2 . . . . . 24 ILE HA . . rr_1aqa 1 587 1 . . 1 1 24 24 ILE HA H . . . 1 1 30 30 TYR H H . . . . . . . 4.3 . . . . . A . 24 ILE HA . . A . 30 TYR H . . . 24 ILE HA . . . . . 30 TYR HN . . rr_1aqa 1 588 1 . . 1 1 24 24 ILE HA H . . . 1 1 30 30 TYR CG C . . . . . . . 8.0 . . . . . A . 24 ILE HA . . A . 30 TYR CG . . . 24 ILE HA . . . . . 30 TYR CG . . rr_1aqa 1 589 1 . . 1 1 24 24 ILE HB H . . . 1 1 53 53 ASP HB2 H . . . . . . . 6.0 . . . . . A . 24 ILE HB . . A . 53 ASP HB2 . . . 24 ILE HB . . . . . 53 ASP- HB2 . . rr_1aqa 1 590 1 . . 1 1 24 24 ILE HB H . . . 1 1 53 53 ASP HB3 H . . . . . . . 6.0 . . . . . A . 24 ILE HB . . A . 53 ASP HB3 . . . 24 ILE HB . . . . . 53 ASP- HB3 . . rr_1aqa 1 591 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HA H . . . . . . . 4.5 . . . . . A . 25 LEU H . . A . 25 LEU HA . . . 25 LEU HN . . . . . 25 LEU HA . . rr_1aqa 1 592 1 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB2 H . . . . . . . 5.5 . . . . . A . 25 LEU H . . A . 25 LEU HB2 . . . 25 LEU HN . . . . . 25 LEU QB . . rr_1aqa 1 592 2 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB3 H . . . . . . . 5.5 . . . . . A . 25 LEU H . . A . 25 LEU HB3 . . . 25 LEU HN . . . . . 25 LEU QB . . rr_1aqa 1 593 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HG H . . . . . . . 5.2 . . . . . A . 25 LEU H . . A . 25 LEU HG . . . 25 LEU HN . . . . . 25 LEU HG . . rr_1aqa 1 594 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 25 25 LEU H H . . . . . . . 6.0 . . . . . A . 25 LEU MD1 . . A . 25 LEU H . . . 25 LEU QD1 . . . . . 25 LEU HN . . rr_1aqa 1 595 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 25 25 LEU H H . . . . . . . 6.3 . . . . . A . 25 LEU MD2 . . A . 25 LEU H . . . 25 LEU QD2 . . . . . 25 LEU HN . . rr_1aqa 1 596 1 . . 1 1 25 25 LEU H H . . . 1 1 28 28 LYS H H . . . . . . . 5.5 . . . . . A . 25 LEU H . . A . 28 LYS H . . . 25 LEU HN . . . . . 28 LYS+ HN . . rr_1aqa 1 597 1 . . 1 1 30 30 TYR CG C . . . 1 1 25 25 LEU H H . . . . . . . 8.0 . . . . . A . 30 TYR CG . . A . 25 LEU H . . . 30 TYR CG . . . . . 25 LEU HN . . rr_1aqa 1 598 1 . . 1 1 25 25 LEU H H . . . 1 1 30 30 TYR CZ C . . . . . . . 8.0 . . . . . A . 25 LEU H . . A . 30 TYR CZ . . . 25 LEU HN . . . . . 30 TYR CZ . . rr_1aqa 1 599 1 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB2 H . . . . . . . 5.6 . . . . . A . 25 LEU HA . . A . 25 LEU HB2 . . . 25 LEU HA . . . . . 25 LEU QB . . rr_1aqa 1 599 2 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB3 H . . . . . . . 5.6 . . . . . A . 25 LEU HA . . A . 25 LEU HB3 . . . 25 LEU HA . . . . . 25 LEU QB . . rr_1aqa 1 600 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 25 25 LEU HA H . . . . . . . 3.9 . . . . . A . 25 LEU MD1 . . A . 25 LEU HA . . . 25 LEU QD1 . . . . . 25 LEU HA . . rr_1aqa 1 601 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 25 25 LEU HA H . . . . . . . 5.9 . . . . . A . 25 LEU MD2 . . A . 25 LEU HA . . . 25 LEU QD2 . . . . . 25 LEU HA . . rr_1aqa 1 602 1 . . 1 1 25 25 LEU HA H . . . 1 1 26 26 HIS H H . . . . . . . 3.5 . . . . . A . 25 LEU HA . . A . 26 HIS H . . . 25 LEU HA . . . . . 26 HIS HN . . rr_1aqa 1 603 1 . . 1 1 25 25 LEU HA H . . . 1 1 26 26 HIS HA H . . . . . . . 5.4 . . . . . A . 25 LEU HA . . A . 26 HIS HA . . . 25 LEU HA . . . . . 26 HIS HA . . rr_1aqa 1 604 1 . . 1 1 25 25 LEU HA H . . . 1 1 55 55 THR HA H . . . . . . . 4.7 . . . . . A . 25 LEU HA . . A . 55 THR HA . . . 25 LEU HA . . . . . 55 THR HA . . rr_1aqa 1 605 1 . . 1 1 25 25 LEU HA H . . . 1 1 55 55 THR MG H . . . . . . . 6.9 . . . . . A . 25 LEU HA . . A . 55 THR MG . . . 25 LEU HA . . . . . 55 THR QG2 . . rr_1aqa 1 606 1 OR . 1 1 25 25 LEU HG H . . . 1 1 25 25 LEU HB2 H . . . . . . . 4.9 . . . . . A . 25 LEU HG . . A . 25 LEU HB2 . . . 25 LEU HG . . . . . 25 LEU QB . . rr_1aqa 1 606 2 OR . 1 1 25 25 LEU HB3 H . . . 1 1 25 25 LEU HG H . . . . . . . 4.9 . . . . . A . 25 LEU HB3 . . A . 25 LEU HG . . . 25 LEU QB . . . . . 25 LEU HG . . rr_1aqa 1 607 1 OR . 1 1 25 25 LEU MD1 H . . . 1 1 25 25 LEU HB2 H . . . . . . . 6.4 . . . . . A . 25 LEU MD1 . . A . 25 LEU HB2 . . . 25 LEU QD1 . . . . . 25 LEU QB . . rr_1aqa 1 607 2 OR . 1 1 25 25 LEU MD1 H . . . 1 1 25 25 LEU HB3 H . . . . . . . 6.4 . . . . . A . 25 LEU MD1 . . A . 25 LEU HB3 . . . 25 LEU QD1 . . . . . 25 LEU QB . . rr_1aqa 1 608 1 OR . 1 1 25 25 LEU MD2 H . . . 1 1 25 25 LEU HB2 H . . . . . . . 5.6 . . . . . A . 25 LEU MD2 . . A . 25 LEU HB2 . . . 25 LEU QD2 . . . . . 25 LEU QB . . rr_1aqa 1 608 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 25 25 LEU HB3 H . . . . . . . 5.6 . . . . . A . 25 LEU MD2 . . A . 25 LEU HB3 . . . 25 LEU QD2 . . . . . 25 LEU QB . . rr_1aqa 1 609 1 OR . 1 1 30 30 TYR CG C . . . 1 1 25 25 LEU HB2 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 25 LEU HB2 . . . 30 TYR CG . . . . . 25 LEU QB . . rr_1aqa 1 609 2 OR . 1 1 30 30 TYR CG C . . . 1 1 25 25 LEU HB3 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 25 LEU HB3 . . . 30 TYR CG . . . . . 25 LEU QB . . rr_1aqa 1 610 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 25 25 LEU HG H . . . . . . . 3.7 . . . . . A . 25 LEU MD1 . . A . 25 LEU HG . . . 25 LEU QD1 . . . . . 25 LEU HG . . rr_1aqa 1 611 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 25 25 LEU HG H . . . . . . . 3.7 . . . . . A . 25 LEU MD2 . . A . 25 LEU HG . . . 25 LEU QD2 . . . . . 25 LEU HG . . rr_1aqa 1 612 1 . . 1 1 30 30 TYR CG C . . . 1 1 25 25 LEU HG H . . . . . . . 8.0 . . . . . A . 30 TYR CG . . A . 25 LEU HG . . . 30 TYR CG . . . . . 25 LEU HG . . rr_1aqa 1 613 1 . . 1 1 25 25 LEU HG H . . . 1 1 30 30 TYR CZ C . . . . . . . 8.0 . . . . . A . 25 LEU HG . . A . 30 TYR CZ . . . 25 LEU HG . . . . . 30 TYR CZ . . rr_1aqa 1 614 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 26 26 HIS H H . . . . . . . 7.0 . . . . . A . 25 LEU MD1 . . A . 26 HIS H . . . 25 LEU QD1 . . . . . 26 HIS HN . . rr_1aqa 1 615 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 54 54 ALA H H . . . . . . . 6.0 . . . . . A . 25 LEU MD1 . . A . 54 ALA H . . . 25 LEU QD1 . . . . . 54 ALA HN . . rr_1aqa 1 616 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 54 54 ALA HA H . . . . . . . 7.0 . . . . . A . 25 LEU MD1 . . A . 54 ALA HA . . . 25 LEU QD1 . . . . . 54 ALA HA . . rr_1aqa 1 617 1 . . 1 1 54 54 ALA MB H . . . 1 1 25 25 LEU MD1 H . . . . . . . 5.3 . . . . . A . 54 ALA MB . . A . 25 LEU MD1 . . . 54 ALA QB . . . . . 25 LEU QD1 . . rr_1aqa 1 618 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 55 55 THR H H . . . . . . . 6.5 . . . . . A . 25 LEU MD1 . . A . 55 THR H . . . 25 LEU QD1 . . . . . 55 THR HN . . rr_1aqa 1 619 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 55 55 THR HA H . . . . . . . 4.9 . . . . . A . 25 LEU MD1 . . A . 55 THR HA . . . 25 LEU QD1 . . . . . 55 THR HA . . rr_1aqa 1 620 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 57 57 ASN HA H . . . . . . . 7.0 . . . . . A . 25 LEU MD1 . . A . 57 ASN HA . . . 25 LEU QD1 . . . . . 57 ASN HA . . rr_1aqa 1 621 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 58 58 PHE H H . . . . . . . 6.6 . . . . . A . 25 LEU MD1 . . A . 58 PHE H . . . 25 LEU QD1 . . . . . 58 PHE HN . . rr_1aqa 1 622 1 . . 1 1 25 25 LEU MD1 H . . . 1 1 58 58 PHE HA H . . . . . . . 7.0 . . . . . A . 25 LEU MD1 . . A . 58 PHE HA . . . 25 LEU QD1 . . . . . 58 PHE HA . . rr_1aqa 1 623 1 OR . 1 1 25 25 LEU MD1 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 7.1 . . . . . A . 25 LEU MD1 . . A . 58 PHE HB2 . . . 25 LEU QD1 . . . . . 58 PHE QB . . rr_1aqa 1 623 2 OR . 1 1 25 25 LEU MD1 H . . . 1 1 58 58 PHE HB3 H . . . . . . . 7.1 . . . . . A . 25 LEU MD1 . . A . 58 PHE HB3 . . . 25 LEU QD1 . . . . . 58 PHE QB . . rr_1aqa 1 624 1 OR . 1 1 25 25 LEU MD1 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 8.0 . . . . . A . 25 LEU MD1 . . A . 59 GLU HG2 . . . 25 LEU QD1 . . . . . 59 GLU- QG . . rr_1aqa 1 624 2 OR . 1 1 25 25 LEU MD1 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 8.0 . . . . . A . 25 LEU MD1 . . A . 59 GLU HG3 . . . 25 LEU QD1 . . . . . 59 GLU- QG . . rr_1aqa 1 625 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 30 30 TYR CG C . . . . . . . 9.0 . . . . . A . 25 LEU MD2 . . A . 30 TYR CG . . . 25 LEU QD2 . . . . . 30 TYR CG . . rr_1aqa 1 626 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 30 30 TYR CZ C . . . . . . . 8.5 . . . . . A . 25 LEU MD2 . . A . 30 TYR CZ . . . 25 LEU QD2 . . . . . 30 TYR CZ . . rr_1aqa 1 627 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 54 54 ALA MB H . . . . . . . 8.0 . . . . . A . 25 LEU MD2 . . A . 54 ALA MB . . . 25 LEU QD2 . . . . . 54 ALA QB . . rr_1aqa 1 628 1 . . 1 1 25 25 LEU MD2 H . . . 1 1 55 55 THR HA H . . . . . . . 7.0 . . . . . A . 25 LEU MD2 . . A . 55 THR HA . . . 25 LEU QD2 . . . . . 55 THR HA . . rr_1aqa 1 629 1 OR . 1 1 25 25 LEU MD2 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 25 LEU MD2 . . A . 58 PHE HB2 . . . 25 LEU QD2 . . . . . 58 PHE QB . . rr_1aqa 1 629 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 58 58 PHE HB3 H . . . . . . . 8.0 . . . . . A . 25 LEU MD2 . . A . 58 PHE HB3 . . . 25 LEU QD2 . . . . . 58 PHE QB . . rr_1aqa 1 630 1 . . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HA H . . . . . . . 3.1 . . . . . A . 26 HIS H . . A . 26 HIS HA . . . 26 HIS HN . . . . . 26 HIS HA . . rr_1aqa 1 631 1 OR . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HB2 H . . . . . . . 5.8 . . . . . A . 26 HIS H . . A . 26 HIS HB2 . . . 26 HIS HN . . . . . 26 HIS QB . . rr_1aqa 1 631 2 OR . 1 1 26 26 HIS H H . . . 1 1 26 26 HIS HB3 H . . . . . . . 5.8 . . . . . A . 26 HIS H . . A . 26 HIS HB3 . . . 26 HIS HN . . . . . 26 HIS QB . . rr_1aqa 1 632 1 . . 1 1 26 26 HIS H H . . . 1 1 27 27 HIS H H . . . . . . . 4.2 . . . . . A . 26 HIS H . . A . 27 HIS H . . . 26 HIS HN . . . . . 27 HIS HN . . rr_1aqa 1 633 1 . . 1 1 26 26 HIS H H . . . 1 1 55 55 THR HA H . . . . . . . 4.7 . . . . . A . 26 HIS H . . A . 55 THR HA . . . 26 HIS HN . . . . . 55 THR HA . . rr_1aqa 1 634 1 . . 1 1 26 26 HIS H H . . . 1 1 55 55 THR MG H . . . . . . . 4.4 . . . . . A . 26 HIS H . . A . 55 THR MG . . . 26 HIS HN . . . . . 55 THR QG2 . . rr_1aqa 1 635 1 OR . 1 1 26 26 HIS HA H . . . 1 1 26 26 HIS HB2 H . . . . . . . 4.8 . . . . . A . 26 HIS HA . . A . 26 HIS HB2 . . . 26 HIS HA . . . . . 26 HIS QB . . rr_1aqa 1 635 2 OR . 1 1 26 26 HIS HA H . . . 1 1 26 26 HIS HB3 H . . . . . . . 4.8 . . . . . A . 26 HIS HA . . A . 26 HIS HB3 . . . 26 HIS HA . . . . . 26 HIS QB . . rr_1aqa 1 636 1 . . 1 1 26 26 HIS HA H . . . 1 1 27 27 HIS H H . . . . . . . 4.3 . . . . . A . 26 HIS HA . . A . 27 HIS H . . . 26 HIS HA . . . . . 27 HIS HN . . rr_1aqa 1 637 1 . . 1 1 26 26 HIS HA H . . . 1 1 27 27 HIS HA H . . . . . . . 4.5 . . . . . A . 26 HIS HA . . A . 27 HIS HA . . . 26 HIS HA . . . . . 27 HIS HA . . rr_1aqa 1 638 1 . . 1 1 26 26 HIS HA H . . . 1 1 55 55 THR MG H . . . . . . . 4.9 . . . . . A . 26 HIS HA . . A . 55 THR MG . . . 26 HIS HA . . . . . 55 THR QG2 . . rr_1aqa 1 639 1 OR . 1 1 27 27 HIS H H . . . 1 1 26 26 HIS HB2 H . . . . . . . 5.9 . . . . . A . 27 HIS H . . A . 26 HIS HB2 . . . 27 HIS HN . . . . . 26 HIS QB . . rr_1aqa 1 639 2 OR . 1 1 26 26 HIS HB3 H . . . 1 1 27 27 HIS H H . . . . . . . 5.9 . . . . . A . 26 HIS HB3 . . A . 27 HIS H . . . 26 HIS QB . . . . . 27 HIS HN . . rr_1aqa 1 640 1 OR . 1 1 55 55 THR MG H . . . 1 1 26 26 HIS HB2 H . . . . . . . 8.0 . . . . . A . 55 THR MG . . A . 26 HIS HB2 . . . 55 THR QG2 . . . . . 26 HIS QB . . rr_1aqa 1 640 2 OR . 1 1 55 55 THR MG H . . . 1 1 26 26 HIS HB3 H . . . . . . . 8.0 . . . . . A . 55 THR MG . . A . 26 HIS HB3 . . . 55 THR QG2 . . . . . 26 HIS QB . . rr_1aqa 1 641 1 . . 1 1 27 27 HIS H H . . . 1 1 27 27 HIS HA H . . . . . . . 3.1 . . . . . A . 27 HIS H . . A . 27 HIS HA . . . 27 HIS HN . . . . . 27 HIS HA . . rr_1aqa 1 642 1 . . 1 1 27 27 HIS H H . . . 1 1 27 27 HIS HE1 H . . . . . . . 6.0 . . . . . A . 27 HIS H . . A . 27 HIS HE1 . . . 27 HIS HN . . . . . 27 HIS HE1 . . rr_1aqa 1 643 1 . . 1 1 28 28 LYS H H . . . 1 1 27 27 HIS H H . . . . . . . 4.8 . . . . . A . 28 LYS H . . A . 27 HIS H . . . 28 LYS+ HN . . . . . 27 HIS HN . . rr_1aqa 1 644 1 . . 1 1 55 55 THR HA H . . . 1 1 27 27 HIS H H . . . . . . . 4.4 . . . . . A . 55 THR HA . . A . 27 HIS H . . . 55 THR HA . . . . . 27 HIS HN . . rr_1aqa 1 645 1 OR . 1 1 27 27 HIS HA H . . . 1 1 27 27 HIS HB2 H . . . . . . . 5.8 . . . . . A . 27 HIS HA . . A . 27 HIS HB2 . . . 27 HIS HA . . . . . 27 HIS QB . . rr_1aqa 1 645 2 OR . 1 1 27 27 HIS HA H . . . 1 1 27 27 HIS HB3 H . . . . . . . 5.8 . . . . . A . 27 HIS HA . . A . 27 HIS HB3 . . . 27 HIS HA . . . . . 27 HIS QB . . rr_1aqa 1 646 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 27 27 HIS HA H . . . . . . . 4.3 . . . . . A . 79 LEU MD1 . . A . 27 HIS HA . . . 79 LEU QD1 . . . . . 27 HIS HA . . rr_1aqa 1 647 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 27 27 HIS HA H . . . . . . . 7.0 . . . . . A . 79 LEU MD2 . . A . 27 HIS HA . . . 79 LEU QD2 . . . . . 27 HIS HA . . rr_1aqa 1 648 1 OR . 1 1 27 27 HIS HA H . . . 1 1 87 87 ILE HG12 H . . . . . . . 5.6 . . . . . A . 27 HIS HA . . A . 87 ILE HG12 . . . 27 HIS HA . . . . . 87 ILE QG1 . . rr_1aqa 1 648 2 OR . 1 1 27 27 HIS HA H . . . 1 1 87 87 ILE HG13 H . . . . . . . 5.6 . . . . . A . 27 HIS HA . . A . 87 ILE HG13 . . . 27 HIS HA . . . . . 87 ILE QG1 . . rr_1aqa 1 649 1 OR . 1 1 27 27 HIS HD2 H . . . 1 1 27 27 HIS HB2 H . . . . . . . 5.7 . . . . . A . 27 HIS HD2 . . A . 27 HIS HB2 . . . 27 HIS HD2 . . . . . 27 HIS QB . . rr_1aqa 1 649 2 OR . 1 1 27 27 HIS HB3 H . . . 1 1 27 27 HIS HD2 H . . . . . . . 5.7 . . . . . A . 27 HIS HB3 . . A . 27 HIS HD2 . . . 27 HIS QB . . . . . 27 HIS HD2 . . rr_1aqa 1 650 1 OR . 1 1 27 27 HIS HB2 H . . . 1 1 28 28 LYS HE2 H . . . . . . . 8.0 . . . . . A . 27 HIS HB2 . . A . 28 LYS HE2 . . . 27 HIS QB . . . . . 28 LYS+ QE . . rr_1aqa 1 650 2 OR . 1 1 27 27 HIS HB3 H . . . 1 1 28 28 LYS HE2 H . . . . . . . 8.0 . . . . . A . 27 HIS HB3 . . A . 28 LYS HE2 . . . 27 HIS QB . . . . . 28 LYS+ QE . . rr_1aqa 1 650 3 OR . 1 1 28 28 LYS HE3 H . . . 1 1 27 27 HIS HB2 H . . . . . . . 8.0 . . . . . A . 28 LYS HE3 . . A . 27 HIS HB2 . . . 28 LYS+ QE . . . . . 27 HIS QB . . rr_1aqa 1 650 4 OR . 1 1 27 27 HIS HB3 H . . . 1 1 28 28 LYS HE3 H . . . . . . . 8.0 . . . . . A . 27 HIS HB3 . . A . 28 LYS HE3 . . . 27 HIS QB . . . . . 28 LYS+ QE . . rr_1aqa 1 651 1 OR . 1 1 27 27 HIS HB3 H . . . 1 1 78 78 GLU HB2 H . . . . . . . 8.0 . . . . . A . 27 HIS HB3 . . A . 78 GLU HB2 . . . 27 HIS QB . . . . . 78 GLU- QB . . rr_1aqa 1 651 2 OR . 1 1 27 27 HIS HB2 H . . . 1 1 78 78 GLU HB2 H . . . . . . . 8.0 . . . . . A . 27 HIS HB2 . . A . 78 GLU HB2 . . . 27 HIS QB . . . . . 78 GLU- QB . . rr_1aqa 1 651 3 OR . 1 1 78 78 GLU HB3 H . . . 1 1 27 27 HIS HB2 H . . . . . . . 8.0 . . . . . A . 78 GLU HB3 . . A . 27 HIS HB2 . . . 78 GLU- QB . . . . . 27 HIS QB . . rr_1aqa 1 651 4 OR . 1 1 78 78 GLU HB3 H . . . 1 1 27 27 HIS HB3 H . . . . . . . 8.0 . . . . . A . 78 GLU HB3 . . A . 27 HIS HB3 . . . 78 GLU- QB . . . . . 27 HIS QB . . rr_1aqa 1 652 1 . . 1 1 27 27 HIS HE1 H . . . 1 1 27 27 HIS HD2 H . . . . . . . 3.0 . . . . . A . 27 HIS HE1 . . A . 27 HIS HD2 . . . 27 HIS HE1 . . . . . 27 HIS HD2 . . rr_1aqa 1 653 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 27 27 HIS HD2 H . . . . . . . 7.0 . . . . . A . 79 LEU MD1 . . A . 27 HIS HD2 . . . 79 LEU QD1 . . . . . 27 HIS HD2 . . rr_1aqa 1 654 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 27 27 HIS HD2 H . . . . . . . 6.0 . . . . . A . 79 LEU MD2 . . A . 27 HIS HD2 . . . 79 LEU QD2 . . . . . 27 HIS HD2 . . rr_1aqa 1 655 1 OR . 1 1 27 27 HIS HE1 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 7.0 . . . . . A . 27 HIS HE1 . . A . 84 ARG HB2 . . . 27 HIS HE1 . . . . . 84 ARG+ QB . . rr_1aqa 1 655 2 OR . 1 1 27 27 HIS HE1 H . . . 1 1 84 84 ARG HB3 H . . . . . . . 7.0 . . . . . A . 27 HIS HE1 . . A . 84 ARG HB3 . . . 27 HIS HE1 . . . . . 84 ARG+ QB . . rr_1aqa 1 656 1 OR . 1 1 27 27 HIS HE1 H . . . 1 1 84 84 ARG HD2 H . . . . . . . 7.0 . . . . . A . 27 HIS HE1 . . A . 84 ARG HD2 . . . 27 HIS HE1 . . . . . 84 ARG+ QD . . rr_1aqa 1 656 2 OR . 1 1 27 27 HIS HE1 H . . . 1 1 84 84 ARG HD3 H . . . . . . . 7.0 . . . . . A . 27 HIS HE1 . . A . 84 ARG HD3 . . . 27 HIS HE1 . . . . . 84 ARG+ QD . . rr_1aqa 1 657 1 . . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HA H . . . . . . . 3.3 . . . . . A . 28 LYS H . . A . 28 LYS HA . . . 28 LYS+ HN . . . . . 28 LYS+ HA . . rr_1aqa 1 658 1 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HB2 H . . . . . . . 4.8 . . . . . A . 28 LYS H . . A . 28 LYS HB2 . . . 28 LYS+ HN . . . . . 28 LYS+ QB . . rr_1aqa 1 658 2 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HB3 H . . . . . . . 4.8 . . . . . A . 28 LYS H . . A . 28 LYS HB3 . . . 28 LYS+ HN . . . . . 28 LYS+ QB . . rr_1aqa 1 659 1 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HG2 H . . . . . . . 5.6 . . . . . A . 28 LYS H . . A . 28 LYS HG2 . . . 28 LYS+ HN . . . . . 28 LYS+ QG . . rr_1aqa 1 659 2 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HG3 H . . . . . . . 5.6 . . . . . A . 28 LYS H . . A . 28 LYS HG3 . . . 28 LYS+ HN . . . . . 28 LYS+ QG . . rr_1aqa 1 660 1 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HD2 H . . . . . . . 7.0 . . . . . A . 28 LYS H . . A . 28 LYS HD2 . . . 28 LYS+ HN . . . . . 28 LYS+ QD . . rr_1aqa 1 660 2 OR . 1 1 28 28 LYS H H . . . 1 1 28 28 LYS HD3 H . . . . . . . 7.0 . . . . . A . 28 LYS H . . A . 28 LYS HD3 . . . 28 LYS+ HN . . . . . 28 LYS+ QD . . rr_1aqa 1 661 1 . . 1 1 29 29 VAL HA H . . . 1 1 28 28 LYS H H . . . . . . . 5.3 . . . . . A . 29 VAL HA . . A . 28 LYS H . . . 29 VAL HA . . . . . 28 LYS+ HN . . rr_1aqa 1 662 1 . . 1 1 28 28 LYS H H . . . 1 1 30 30 TYR CZ C . . . . . . . 8.0 . . . . . A . 28 LYS H . . A . 30 TYR CZ . . . 28 LYS+ HN . . . . . 30 TYR CZ . . rr_1aqa 1 663 1 . . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS H H . . . . . . . 4.1 . . . . . A . 78 GLU HA . . A . 28 LYS H . . . 78 GLU- HA . . . . . 28 LYS+ HN . . rr_1aqa 1 664 1 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HB2 H . . . . . . . 5.1 . . . . . A . 28 LYS HA . . A . 28 LYS HB2 . . . 28 LYS+ HA . . . . . 28 LYS+ QB . . rr_1aqa 1 664 2 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HB3 H . . . . . . . 5.1 . . . . . A . 28 LYS HA . . A . 28 LYS HB3 . . . 28 LYS+ HA . . . . . 28 LYS+ QB . . rr_1aqa 1 665 1 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HG2 H . . . . . . . 5.0 . . . . . A . 28 LYS HA . . A . 28 LYS HG2 . . . 28 LYS+ HA . . . . . 28 LYS+ QG . . rr_1aqa 1 665 2 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HG3 H . . . . . . . 5.0 . . . . . A . 28 LYS HA . . A . 28 LYS HG3 . . . 28 LYS+ HA . . . . . 28 LYS+ QG . . rr_1aqa 1 666 1 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HD2 H . . . . . . . 5.7 . . . . . A . 28 LYS HA . . A . 28 LYS HD2 . . . 28 LYS+ HA . . . . . 28 LYS+ QD . . rr_1aqa 1 666 2 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HD3 H . . . . . . . 5.7 . . . . . A . 28 LYS HA . . A . 28 LYS HD3 . . . 28 LYS+ HA . . . . . 28 LYS+ QD . . rr_1aqa 1 667 1 OR . 1 1 28 28 LYS HA H . . . 1 1 28 28 LYS HE2 H . . . . . . . 6.7 . . . . . A . 28 LYS HA . . A . 28 LYS HE2 . . . 28 LYS+ HA . . . . . 28 LYS+ QE . . rr_1aqa 1 667 2 OR . 1 1 28 28 LYS HE3 H . . . 1 1 28 28 LYS HA H . . . . . . . 6.7 . . . . . A . 28 LYS HE3 . . A . 28 LYS HA . . . 28 LYS+ QE . . . . . 28 LYS+ HA . . rr_1aqa 1 668 1 . . 1 1 28 28 LYS HA H . . . 1 1 29 29 VAL H H . . . . . . . 3.8 . . . . . A . 28 LYS HA . . A . 29 VAL H . . . 28 LYS+ HA . . . . . 29 VAL HN . . rr_1aqa 1 669 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 28 28 LYS HA H . . . . . . . 6.0 . . . . . A . 29 VAL MG2 . . A . 28 LYS HA . . . 29 VAL QG2 . . . . . 28 LYS+ HA . . rr_1aqa 1 670 1 . . 1 1 77 77 GLY H H . . . 1 1 28 28 LYS HA H . . . . . . . 4.9 . . . . . A . 77 GLY H . . A . 28 LYS HA . . . 77 GLY HN . . . . . 28 LYS+ HA . . rr_1aqa 1 671 1 . . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HA H . . . . . . . 3.3 . . . . . A . 78 GLU HA . . A . 28 LYS HA . . . 78 GLU- HA . . . . . 28 LYS+ HA . . rr_1aqa 1 672 1 OR . 1 1 28 28 LYS HA H . . . 1 1 78 78 GLU HB2 H . . . . . . . 7.0 . . . . . A . 28 LYS HA . . A . 78 GLU HB2 . . . 28 LYS+ HA . . . . . 78 GLU- QB . . rr_1aqa 1 672 2 OR . 1 1 78 78 GLU HB3 H . . . 1 1 28 28 LYS HA H . . . . . . . 7.0 . . . . . A . 78 GLU HB3 . . A . 28 LYS HA . . . 78 GLU- QB . . . . . 28 LYS+ HA . . rr_1aqa 1 673 1 OR . 1 1 28 28 LYS HA H . . . 1 1 78 78 GLU HG2 H . . . . . . . 7.0 . . . . . A . 28 LYS HA . . A . 78 GLU HG2 . . . 28 LYS+ HA . . . . . 78 GLU- QG . . rr_1aqa 1 673 2 OR . 1 1 78 78 GLU HG3 H . . . 1 1 28 28 LYS HA H . . . . . . . 7.0 . . . . . A . 78 GLU HG3 . . A . 28 LYS HA . . . 78 GLU- QG . . . . . 28 LYS+ HA . . rr_1aqa 1 674 1 OR . 1 1 28 28 LYS HB2 H . . . 1 1 28 28 LYS HG2 H . . . . . . . 5.8 . . . . . A . 28 LYS HB2 . . A . 28 LYS HG2 . . . 28 LYS+ QB . . . . . 28 LYS+ QG . . rr_1aqa 1 674 2 OR . 1 1 28 28 LYS HB3 H . . . 1 1 28 28 LYS HG2 H . . . . . . . 5.8 . . . . . A . 28 LYS HB3 . . A . 28 LYS HG2 . . . 28 LYS+ QB . . . . . 28 LYS+ QG . . rr_1aqa 1 674 3 OR . 1 1 28 28 LYS HG3 H . . . 1 1 28 28 LYS HB2 H . . . . . . . 5.8 . . . . . A . 28 LYS HG3 . . A . 28 LYS HB2 . . . 28 LYS+ QG . . . . . 28 LYS+ QB . . rr_1aqa 1 674 4 OR . 1 1 28 28 LYS HB3 H . . . 1 1 28 28 LYS HG3 H . . . . . . . 5.8 . . . . . A . 28 LYS HB3 . . A . 28 LYS HG3 . . . 28 LYS+ QB . . . . . 28 LYS+ QG . . rr_1aqa 1 675 1 OR . 1 1 28 28 LYS HB2 H . . . 1 1 28 28 LYS HD2 H . . . . . . . 7.0 . . . . . A . 28 LYS HB2 . . A . 28 LYS HD2 . . . 28 LYS+ QB . . . . . 28 LYS+ QD . . rr_1aqa 1 675 2 OR . 1 1 28 28 LYS HB3 H . . . 1 1 28 28 LYS HD2 H . . . . . . . 7.0 . . . . . A . 28 LYS HB3 . . A . 28 LYS HD2 . . . 28 LYS+ QB . . . . . 28 LYS+ QD . . rr_1aqa 1 675 3 OR . 1 1 28 28 LYS HD3 H . . . 1 1 28 28 LYS HB2 H . . . . . . . 7.0 . . . . . A . 28 LYS HD3 . . A . 28 LYS HB2 . . . 28 LYS+ QD . . . . . 28 LYS+ QB . . rr_1aqa 1 675 4 OR . 1 1 28 28 LYS HB3 H . . . 1 1 28 28 LYS HD3 H . . . . . . . 7.0 . . . . . A . 28 LYS HB3 . . A . 28 LYS HD3 . . . 28 LYS+ QB . . . . . 28 LYS+ QD . . rr_1aqa 1 676 1 OR . 1 1 29 29 VAL H H . . . 1 1 28 28 LYS HB2 H . . . . . . . 5.4 . . . . . A . 29 VAL H . . A . 28 LYS HB2 . . . 29 VAL HN . . . . . 28 LYS+ QB . . rr_1aqa 1 676 2 OR . 1 1 28 28 LYS HB3 H . . . 1 1 29 29 VAL H H . . . . . . . 5.4 . . . . . A . 28 LYS HB3 . . A . 29 VAL H . . . 28 LYS+ QB . . . . . 29 VAL HN . . rr_1aqa 1 677 1 OR . 1 1 29 29 VAL MG2 H . . . 1 1 28 28 LYS HB2 H . . . . . . . 8.0 . . . . . A . 29 VAL MG2 . . A . 28 LYS HB2 . . . 29 VAL QG2 . . . . . 28 LYS+ QB . . rr_1aqa 1 677 2 OR . 1 1 29 29 VAL MG2 H . . . 1 1 28 28 LYS HB3 H . . . . . . . 8.0 . . . . . A . 29 VAL MG2 . . A . 28 LYS HB3 . . . 29 VAL QG2 . . . . . 28 LYS+ QB . . rr_1aqa 1 678 1 OR . 1 1 30 30 TYR CG C . . . 1 1 28 28 LYS HB2 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 28 LYS HB2 . . . 30 TYR CG . . . . . 28 LYS+ QB . . rr_1aqa 1 678 2 OR . 1 1 30 30 TYR CG C . . . 1 1 28 28 LYS HB3 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 28 LYS HB3 . . . 30 TYR CG . . . . . 28 LYS+ QB . . rr_1aqa 1 679 1 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HB2 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HB2 . . . 30 TYR CZ . . . . . 28 LYS+ QB . . rr_1aqa 1 679 2 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HB3 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HB3 . . . 30 TYR CZ . . . . . 28 LYS+ QB . . rr_1aqa 1 680 1 OR . 1 1 75 75 ILE MG H . . . 1 1 28 28 LYS HB2 H . . . . . . . 8.0 . . . . . A . 75 ILE MG . . A . 28 LYS HB2 . . . 75 ILE QG2 . . . . . 28 LYS+ QB . . rr_1aqa 1 680 2 OR . 1 1 28 28 LYS HB3 H . . . 1 1 75 75 ILE MG H . . . . . . . 8.0 . . . . . A . 28 LYS HB3 . . A . 75 ILE MG . . . 28 LYS+ QB . . . . . 75 ILE QG2 . . rr_1aqa 1 681 1 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HB2 H . . . . . . . 6.3 . . . . . A . 78 GLU HA . . A . 28 LYS HB2 . . . 78 GLU- HA . . . . . 28 LYS+ QB . . rr_1aqa 1 681 2 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HB3 H . . . . . . . 6.3 . . . . . A . 78 GLU HA . . A . 28 LYS HB3 . . . 78 GLU- HA . . . . . 28 LYS+ QB . . rr_1aqa 1 682 1 OR . 1 1 28 28 LYS HE2 H . . . 1 1 28 28 LYS HG2 H . . . . . . . 7.2 . . . . . A . 28 LYS HE2 . . A . 28 LYS HG2 . . . 28 LYS+ QE . . . . . 28 LYS+ QG . . rr_1aqa 1 682 2 OR . 1 1 28 28 LYS HE3 H . . . 1 1 28 28 LYS HG2 H . . . . . . . 7.2 . . . . . A . 28 LYS HE3 . . A . 28 LYS HG2 . . . 28 LYS+ QE . . . . . 28 LYS+ QG . . rr_1aqa 1 682 3 OR . 1 1 28 28 LYS HG3 H . . . 1 1 28 28 LYS HE2 H . . . . . . . 7.2 . . . . . A . 28 LYS HG3 . . A . 28 LYS HE2 . . . 28 LYS+ QG . . . . . 28 LYS+ QE . . rr_1aqa 1 682 4 OR . 1 1 28 28 LYS HE3 H . . . 1 1 28 28 LYS HG3 H . . . . . . . 7.2 . . . . . A . 28 LYS HE3 . . A . 28 LYS HG3 . . . 28 LYS+ QE . . . . . 28 LYS+ QG . . rr_1aqa 1 683 1 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HG2 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HG2 . . . 30 TYR CZ . . . . . 28 LYS+ QG . . rr_1aqa 1 683 2 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HG3 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HG3 . . . 30 TYR CZ . . . . . 28 LYS+ QG . . rr_1aqa 1 684 1 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HG2 H . . . . . . . 7.0 . . . . . A . 78 GLU HA . . A . 28 LYS HG2 . . . 78 GLU- HA . . . . . 28 LYS+ QG . . rr_1aqa 1 684 2 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HG3 H . . . . . . . 7.0 . . . . . A . 78 GLU HA . . A . 28 LYS HG3 . . . 78 GLU- HA . . . . . 28 LYS+ QG . . rr_1aqa 1 685 1 OR . 1 1 28 28 LYS HG2 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 8.0 . . . . . A . 28 LYS HG2 . . A . 78 GLU HG2 . . . 28 LYS+ QG . . . . . 78 GLU- QG . . rr_1aqa 1 685 2 OR . 1 1 78 78 GLU HG3 H . . . 1 1 28 28 LYS HG2 H . . . . . . . 8.0 . . . . . A . 78 GLU HG3 . . A . 28 LYS HG2 . . . 78 GLU- QG . . . . . 28 LYS+ QG . . rr_1aqa 1 685 3 OR . 1 1 78 78 GLU HG3 H . . . 1 1 28 28 LYS HG3 H . . . . . . . 8.0 . . . . . A . 78 GLU HG3 . . A . 28 LYS HG3 . . . 78 GLU- QG . . . . . 28 LYS+ QG . . rr_1aqa 1 685 4 OR . 1 1 28 28 LYS HG3 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 8.0 . . . . . A . 28 LYS HG3 . . A . 78 GLU HG2 . . . 28 LYS+ QG . . . . . 78 GLU- QG . . rr_1aqa 1 686 1 OR . 1 1 28 28 LYS HD2 H . . . 1 1 28 28 LYS HE2 H . . . . . . . 7.3 . . . . . A . 28 LYS HD2 . . A . 28 LYS HE2 . . . 28 LYS+ QD . . . . . 28 LYS+ QE . . rr_1aqa 1 686 2 OR . 1 1 28 28 LYS HD3 H . . . 1 1 28 28 LYS HE2 H . . . . . . . 7.3 . . . . . A . 28 LYS HD3 . . A . 28 LYS HE2 . . . 28 LYS+ QD . . . . . 28 LYS+ QE . . rr_1aqa 1 686 3 OR . 1 1 28 28 LYS HE3 H . . . 1 1 28 28 LYS HD2 H . . . . . . . 7.3 . . . . . A . 28 LYS HE3 . . A . 28 LYS HD2 . . . 28 LYS+ QE . . . . . 28 LYS+ QD . . rr_1aqa 1 686 4 OR . 1 1 28 28 LYS HE3 H . . . 1 1 28 28 LYS HD3 H . . . . . . . 7.3 . . . . . A . 28 LYS HE3 . . A . 28 LYS HD3 . . . 28 LYS+ QE . . . . . 28 LYS+ QD . . rr_1aqa 1 687 1 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HD2 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HD2 . . . 30 TYR CZ . . . . . 28 LYS+ QD . . rr_1aqa 1 687 2 OR . 1 1 30 30 TYR CZ C . . . 1 1 28 28 LYS HD3 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 28 LYS HD3 . . . 30 TYR CZ . . . . . 28 LYS+ QD . . rr_1aqa 1 688 1 OR . 1 1 75 75 ILE MG H . . . 1 1 28 28 LYS HD2 H . . . . . . . 8.0 . . . . . A . 75 ILE MG . . A . 28 LYS HD2 . . . 75 ILE QG2 . . . . . 28 LYS+ QD . . rr_1aqa 1 688 2 OR . 1 1 28 28 LYS HD3 H . . . 1 1 75 75 ILE MG H . . . . . . . 8.0 . . . . . A . 28 LYS HD3 . . A . 75 ILE MG . . . 28 LYS+ QD . . . . . 75 ILE QG2 . . rr_1aqa 1 689 1 OR . 1 1 28 28 LYS HD3 H . . . 1 1 75 75 ILE HG12 H . . . . . . . 8.0 . . . . . A . 28 LYS HD3 . . A . 75 ILE HG12 . . . 28 LYS+ QD . . . . . 75 ILE QG1 . . rr_1aqa 1 689 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 28 28 LYS HD2 H . . . . . . . 8.0 . . . . . A . 75 ILE HG13 . . A . 28 LYS HD2 . . . 75 ILE QG1 . . . . . 28 LYS+ QD . . rr_1aqa 1 689 3 OR . 1 1 28 28 LYS HD3 H . . . 1 1 75 75 ILE HG13 H . . . . . . . 8.0 . . . . . A . 28 LYS HD3 . . A . 75 ILE HG13 . . . 28 LYS+ QD . . . . . 75 ILE QG1 . . rr_1aqa 1 689 4 OR . 1 1 28 28 LYS HD2 H . . . 1 1 75 75 ILE HG12 H . . . . . . . 8.0 . . . . . A . 28 LYS HD2 . . A . 75 ILE HG12 . . . 28 LYS+ QD . . . . . 75 ILE QG1 . . rr_1aqa 1 690 1 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HD2 H . . . . . . . 7.0 . . . . . A . 78 GLU HA . . A . 28 LYS HD2 . . . 78 GLU- HA . . . . . 28 LYS+ QD . . rr_1aqa 1 690 2 OR . 1 1 78 78 GLU HA H . . . 1 1 28 28 LYS HD3 H . . . . . . . 7.0 . . . . . A . 78 GLU HA . . A . 28 LYS HD3 . . . 78 GLU- HA . . . . . 28 LYS+ QD . . rr_1aqa 1 691 1 OR . 1 1 28 28 LYS HD3 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 8.0 . . . . . A . 28 LYS HD3 . . A . 78 GLU HG2 . . . 28 LYS+ QD . . . . . 78 GLU- QG . . rr_1aqa 1 691 2 OR . 1 1 28 28 LYS HD2 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 8.0 . . . . . A . 28 LYS HD2 . . A . 78 GLU HG2 . . . 28 LYS+ QD . . . . . 78 GLU- QG . . rr_1aqa 1 691 3 OR . 1 1 78 78 GLU HG3 H . . . 1 1 28 28 LYS HD2 H . . . . . . . 8.0 . . . . . A . 78 GLU HG3 . . A . 28 LYS HD2 . . . 78 GLU- QG . . . . . 28 LYS+ QD . . rr_1aqa 1 691 4 OR . 1 1 78 78 GLU HG3 H . . . 1 1 28 28 LYS HD3 H . . . . . . . 8.0 . . . . . A . 78 GLU HG3 . . A . 28 LYS HD3 . . . 78 GLU- QG . . . . . 28 LYS+ QD . . rr_1aqa 1 692 1 . . 1 1 29 29 VAL HB H . . . 1 1 29 29 VAL H H . . . . . . . 4.1 . . . . . A . 29 VAL HB . . A . 29 VAL H . . . 29 VAL HB . . . . . 29 VAL HN . . rr_1aqa 1 693 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 29 29 VAL H H . . . . . . . 5.8 . . . . . A . 29 VAL MG1 . . A . 29 VAL H . . . 29 VAL QG1 . . . . . 29 VAL HN . . rr_1aqa 1 694 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 29 29 VAL H H . . . . . . . 4.9 . . . . . A . 29 VAL MG2 . . A . 29 VAL H . . . 29 VAL QG2 . . . . . 29 VAL HN . . rr_1aqa 1 695 1 . . 1 1 77 77 GLY H H . . . 1 1 29 29 VAL H H . . . . . . . 4.1 . . . . . A . 77 GLY H . . A . 29 VAL H . . . 77 GLY HN . . . . . 29 VAL HN . . rr_1aqa 1 696 1 . . 1 1 29 29 VAL HB H . . . 1 1 29 29 VAL HA H . . . . . . . 4.4 . . . . . A . 29 VAL HB . . A . 29 VAL HA . . . 29 VAL HB . . . . . 29 VAL HA . . rr_1aqa 1 697 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 29 29 VAL HA H . . . . . . . 4.4 . . . . . A . 29 VAL MG1 . . A . 29 VAL HA . . . 29 VAL QG1 . . . . . 29 VAL HA . . rr_1aqa 1 698 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 29 29 VAL HA H . . . . . . . 4.7 . . . . . A . 29 VAL MG2 . . A . 29 VAL HA . . . 29 VAL QG2 . . . . . 29 VAL HA . . rr_1aqa 1 699 1 . . 1 1 30 30 TYR H H . . . 1 1 29 29 VAL HA H . . . . . . . 3.5 . . . . . A . 30 TYR H . . A . 29 VAL HA . . . 30 TYR HN . . . . . 29 VAL HA . . rr_1aqa 1 700 1 . . 1 1 29 29 VAL HA H . . . 1 1 30 30 TYR CG C . . . . . . . 8.0 . . . . . A . 29 VAL HA . . A . 30 TYR CG . . . 29 VAL HA . . . . . 30 TYR CG . . rr_1aqa 1 701 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 29 29 VAL HA H . . . . . . . 6.2 . . . . . A . 79 LEU MD2 . . A . 29 VAL HA . . . 79 LEU QD2 . . . . . 29 VAL HA . . rr_1aqa 1 702 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 29 29 VAL HB H . . . . . . . 3.4 . . . . . A . 29 VAL MG1 . . A . 29 VAL HB . . . 29 VAL QG1 . . . . . 29 VAL HB . . rr_1aqa 1 703 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 29 29 VAL HB H . . . . . . . 3.5 . . . . . A . 29 VAL MG2 . . A . 29 VAL HB . . . 29 VAL QG2 . . . . . 29 VAL HB . . rr_1aqa 1 704 1 OR . 1 1 29 29 VAL HB H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.0 . . . . . A . 29 VAL HB . . A . 75 ILE HG12 . . . 29 VAL HB . . . . . 75 ILE QG1 . . rr_1aqa 1 704 2 OR . 1 1 29 29 VAL HB H . . . 1 1 75 75 ILE HG13 H . . . . . . . 7.0 . . . . . A . 29 VAL HB . . A . 75 ILE HG13 . . . 29 VAL HB . . . . . 75 ILE QG1 . . rr_1aqa 1 705 1 . . 1 1 29 29 VAL HB H . . . 1 1 76 76 ILE HG13 H . . . . . . . 6.0 . . . . . A . 29 VAL HB . . A . 76 ILE HG13 . . . 29 VAL HB . . . . . 76 ILE HG13 . . rr_1aqa 1 706 1 . . 1 1 29 29 VAL HB H . . . 1 1 76 76 ILE MD H . . . . . . . 6.1 . . . . . A . 29 VAL HB . . A . 76 ILE MD . . . 29 VAL HB . . . . . 76 ILE QD1 . . rr_1aqa 1 707 1 . . 1 1 29 29 VAL HB H . . . 1 1 77 77 GLY H H . . . . . . . 5.7 . . . . . A . 29 VAL HB . . A . 77 GLY H . . . 29 VAL HB . . . . . 77 GLY HN . . rr_1aqa 1 708 1 . . 1 1 77 77 GLY HA2 H . . . 1 1 29 29 VAL HB H . . . . . . . 6.0 . . . . . A . 77 GLY HA2 . . A . 29 VAL HB . . . 77 GLY HA1 . . . . . 29 VAL HB . . rr_1aqa 1 709 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 30 30 TYR H H . . . . . . . 4.7 . . . . . A . 29 VAL MG1 . . A . 30 TYR H . . . 29 VAL QG1 . . . . . 30 TYR HN . . rr_1aqa 1 710 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 31 31 ASP HA H . . . . . . . 7.0 . . . . . A . 29 VAL MG1 . . A . 31 ASP HA . . . 29 VAL QG1 . . . . . 31 ASP- HA . . rr_1aqa 1 711 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 76 76 ILE MG H . . . . . . . 7.3 . . . . . A . 29 VAL MG1 . . A . 76 ILE MG . . . 29 VAL QG1 . . . . . 76 ILE QG2 . . rr_1aqa 1 712 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 76 76 ILE HG13 H . . . . . . . 5.3 . . . . . A . 29 VAL MG1 . . A . 76 ILE HG13 . . . 29 VAL QG1 . . . . . 76 ILE HG13 . . rr_1aqa 1 713 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 76 76 ILE MD H . . . . . . . 4.8 . . . . . A . 29 VAL MG1 . . A . 76 ILE MD . . . 29 VAL QG1 . . . . . 76 ILE QD1 . . rr_1aqa 1 714 1 . . 1 1 29 29 VAL MG1 H . . . 1 1 77 77 GLY H H . . . . . . . 6.4 . . . . . A . 29 VAL MG1 . . A . 77 GLY H . . . 29 VAL QG1 . . . . . 77 GLY HN . . rr_1aqa 1 715 1 . . 1 1 77 77 GLY HA3 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 5.8 . . . . . A . 77 GLY HA3 . . A . 29 VAL MG1 . . . 77 GLY HA2 . . . . . 29 VAL QG1 . . rr_1aqa 1 716 1 . . 1 1 78 78 GLU HA H . . . 1 1 29 29 VAL MG1 H . . . . . . . 7.0 . . . . . A . 78 GLU HA . . A . 29 VAL MG1 . . . 78 GLU- HA . . . . . 29 VAL QG1 . . rr_1aqa 1 717 1 OR . 1 1 29 29 VAL MG1 H . . . 1 1 79 79 LEU HB2 H . . . . . . . 8.0 . . . . . A . 29 VAL MG1 . . A . 79 LEU HB2 . . . 29 VAL QG1 . . . . . 79 LEU QB . . rr_1aqa 1 717 2 OR . 1 1 29 29 VAL MG1 H . . . 1 1 79 79 LEU HB3 H . . . . . . . 8.0 . . . . . A . 29 VAL MG1 . . A . 79 LEU HB3 . . . 29 VAL QG1 . . . . . 79 LEU QB . . rr_1aqa 1 718 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 7.3 . . . . . A . 79 LEU MD1 . . A . 29 VAL MG1 . . . 79 LEU QD1 . . . . . 29 VAL QG1 . . rr_1aqa 1 719 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 29 29 VAL MG1 H . . . . . . . 7.6 . . . . . A . 79 LEU MD2 . . A . 29 VAL MG1 . . . 79 LEU QD2 . . . . . 29 VAL QG1 . . rr_1aqa 1 720 1 . . 1 1 29 29 VAL MG2 H . . . 1 1 77 77 GLY H H . . . . . . . 7.0 . . . . . A . 29 VAL MG2 . . A . 77 GLY H . . . 29 VAL QG2 . . . . . 77 GLY HN . . rr_1aqa 1 721 1 . . 1 1 77 77 GLY HA2 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 7.0 . . . . . A . 77 GLY HA2 . . A . 29 VAL MG2 . . . 77 GLY HA1 . . . . . 29 VAL QG2 . . rr_1aqa 1 722 1 . . 1 1 77 77 GLY HA3 H . . . 1 1 29 29 VAL MG2 H . . . . . . . 5.8 . . . . . A . 77 GLY HA3 . . A . 29 VAL MG2 . . . 77 GLY HA2 . . . . . 29 VAL QG2 . . rr_1aqa 1 723 1 . . 1 1 78 78 GLU H H . . . 1 1 29 29 VAL MG2 H . . . . . . . 6.8 . . . . . A . 78 GLU H . . A . 29 VAL MG2 . . . 78 GLU- HN . . . . . 29 VAL QG2 . . rr_1aqa 1 724 1 . . 1 1 78 78 GLU HA H . . . 1 1 29 29 VAL MG2 H . . . . . . . 5.0 . . . . . A . 78 GLU HA . . A . 29 VAL MG2 . . . 78 GLU- HA . . . . . 29 VAL QG2 . . rr_1aqa 1 725 1 . . 1 1 30 30 TYR H H . . . 1 1 30 30 TYR HA H . . . . . . . 5.0 . . . . . A . 30 TYR H . . A . 30 TYR HA . . . 30 TYR HN . . . . . 30 TYR HA . . rr_1aqa 1 726 1 OR . 1 1 30 30 TYR H H . . . 1 1 30 30 TYR HB2 H . . . . . . . 4.9 . . . . . A . 30 TYR H . . A . 30 TYR HB2 . . . 30 TYR HN . . . . . 30 TYR QB . . rr_1aqa 1 726 2 OR . 1 1 30 30 TYR H H . . . 1 1 30 30 TYR HB3 H . . . . . . . 4.9 . . . . . A . 30 TYR H . . A . 30 TYR HB3 . . . 30 TYR HN . . . . . 30 TYR QB . . rr_1aqa 1 727 1 . . 1 1 30 30 TYR H H . . . 1 1 30 30 TYR CG C . . . . . . . 6.8 . . . . . A . 30 TYR H . . A . 30 TYR CG . . . 30 TYR HN . . . . . 30 TYR CG . . rr_1aqa 1 728 1 . . 1 1 30 30 TYR H H . . . 1 1 31 31 ASP H H . . . . . . . 3.9 . . . . . A . 30 TYR H . . A . 31 ASP H . . . 30 TYR HN . . . . . 31 ASP- HN . . rr_1aqa 1 729 1 . . 1 1 31 31 ASP HA H . . . 1 1 30 30 TYR H H . . . . . . . 4.6 . . . . . A . 31 ASP HA . . A . 30 TYR H . . . 31 ASP- HA . . . . . 30 TYR HN . . rr_1aqa 1 730 1 . . 1 1 30 30 TYR H H . . . 1 1 31 31 ASP HB3 H . . . . . . . 6.0 . . . . . A . 30 TYR H . . A . 31 ASP HB3 . . . 30 TYR HN . . . . . 31 ASP- HB3 . . rr_1aqa 1 731 1 OR . 1 1 30 30 TYR HA H . . . 1 1 30 30 TYR HB2 H . . . . . . . 6.7 . . . . . A . 30 TYR HA . . A . 30 TYR HB2 . . . 30 TYR HA . . . . . 30 TYR QB . . rr_1aqa 1 731 2 OR . 1 1 30 30 TYR HA H . . . 1 1 30 30 TYR HB3 H . . . . . . . 6.7 . . . . . A . 30 TYR HA . . A . 30 TYR HB3 . . . 30 TYR HA . . . . . 30 TYR QB . . rr_1aqa 1 732 1 . . 1 1 30 30 TYR HA H . . . 1 1 30 30 TYR CG C . . . . . . . 7.0 . . . . . A . 30 TYR HA . . A . 30 TYR CG . . . 30 TYR HA . . . . . 30 TYR CG . . rr_1aqa 1 733 1 . . 1 1 30 30 TYR HA H . . . 1 1 31 31 ASP H H . . . . . . . 3.4 . . . . . A . 30 TYR HA . . A . 31 ASP H . . . 30 TYR HA . . . . . 31 ASP- HN . . rr_1aqa 1 734 1 . . 1 1 30 30 TYR HA H . . . 1 1 75 75 ILE HA H . . . . . . . 3.8 . . . . . A . 30 TYR HA . . A . 75 ILE HA . . . 30 TYR HA . . . . . 75 ILE HA . . rr_1aqa 1 735 1 . . 1 1 30 30 TYR HA H . . . 1 1 76 76 ILE H H . . . . . . . 3.9 . . . . . A . 30 TYR HA . . A . 76 ILE H . . . 30 TYR HA . . . . . 76 ILE HN . . rr_1aqa 1 736 1 . . 1 1 76 76 ILE MG H . . . 1 1 30 30 TYR HA H . . . . . . . 6.5 . . . . . A . 76 ILE MG . . A . 30 TYR HA . . . 76 ILE QG2 . . . . . 30 TYR HA . . rr_1aqa 1 737 1 OR . 1 1 30 30 TYR CG C . . . 1 1 30 30 TYR HB2 H . . . . . . . 8.2 . . . . . A . 30 TYR CG . . A . 30 TYR HB2 . . . 30 TYR CG . . . . . 30 TYR QB . . rr_1aqa 1 737 2 OR . 1 1 30 30 TYR CG C . . . 1 1 30 30 TYR HB3 H . . . . . . . 8.2 . . . . . A . 30 TYR CG . . A . 30 TYR HB3 . . . 30 TYR CG . . . . . 30 TYR QB . . rr_1aqa 1 738 1 OR . 1 1 32 32 LEU MD1 H . . . 1 1 30 30 TYR HB2 H . . . . . . . 6.4 . . . . . A . 32 LEU MD1 . . A . 30 TYR HB2 . . . 32 LEU QD1 . . . . . 30 TYR QB . . rr_1aqa 1 738 2 OR . 1 1 32 32 LEU MD1 H . . . 1 1 30 30 TYR HB3 H . . . . . . . 6.4 . . . . . A . 32 LEU MD1 . . A . 30 TYR HB3 . . . 32 LEU QD1 . . . . . 30 TYR QB . . rr_1aqa 1 739 1 OR . 1 1 74 74 TYR CG C . . . 1 1 30 30 TYR HB2 H . . . . . . . 9.0 . . . . . A . 74 TYR CG . . A . 30 TYR HB2 . . . 74 TYR CG . . . . . 30 TYR QB . . rr_1aqa 1 739 2 OR . 1 1 30 30 TYR HB3 H . . . 1 1 74 74 TYR CG C . . . . . . . 9.0 . . . . . A . 30 TYR HB3 . . A . 74 TYR CG . . . 30 TYR QB . . . . . 74 TYR CG . . rr_1aqa 1 740 1 . . 1 1 30 30 TYR CG C . . . 1 1 30 30 TYR CZ C . . . . . . . 8.9 . . . . . A . 30 TYR CG . . A . 30 TYR CZ . . . 30 TYR CG . . . . . 30 TYR CZ . . rr_1aqa 1 741 1 OR . 1 1 30 30 TYR CG C . . . 1 1 74 74 TYR HB2 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 74 TYR HB2 . . . 30 TYR CG . . . . . 74 TYR QB . . rr_1aqa 1 741 2 OR . 1 1 30 30 TYR CG C . . . 1 1 74 74 TYR HB3 H . . . . . . . 9.0 . . . . . A . 30 TYR CG . . A . 74 TYR HB3 . . . 30 TYR CG . . . . . 74 TYR QB . . rr_1aqa 1 742 1 . . 1 1 30 30 TYR CZ C . . . 1 1 71 71 SER HA H . . . . . . . 8.0 . . . . . A . 30 TYR CZ . . A . 71 SER HA . . . 30 TYR CZ . . . . . 71 SER HA . . rr_1aqa 1 743 1 . . 1 1 30 30 TYR CZ C . . . 1 1 74 74 TYR CG C . . . . . . . 10.0 . . . . . A . 30 TYR CZ . . A . 74 TYR CG . . . 30 TYR CZ . . . . . 74 TYR CG . . rr_1aqa 1 744 1 OR . 1 1 30 30 TYR CZ C . . . 1 1 75 75 ILE HG12 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 75 ILE HG12 . . . 30 TYR CZ . . . . . 75 ILE QG1 . . rr_1aqa 1 744 2 OR . 1 1 30 30 TYR CZ C . . . 1 1 75 75 ILE HG13 H . . . . . . . 9.0 . . . . . A . 30 TYR CZ . . A . 75 ILE HG13 . . . 30 TYR CZ . . . . . 75 ILE QG1 . . rr_1aqa 1 745 1 . . 1 1 31 31 ASP HA H . . . 1 1 31 31 ASP H H . . . . . . . 3.9 . . . . . A . 31 ASP HA . . A . 31 ASP H . . . 31 ASP- HA . . . . . 31 ASP- HN . . rr_1aqa 1 746 1 . . 1 1 31 31 ASP H H . . . 1 1 31 31 ASP HB2 H . . . . . . . 3.5 . . . . . A . 31 ASP H . . A . 31 ASP HB2 . . . 31 ASP- HN . . . . . 31 ASP- HB2 . . rr_1aqa 1 747 1 . . 1 1 31 31 ASP H H . . . 1 1 31 31 ASP HB3 H . . . . . . . 5.8 . . . . . A . 31 ASP H . . A . 31 ASP HB3 . . . 31 ASP- HN . . . . . 31 ASP- HB3 . . rr_1aqa 1 748 1 OR . 1 1 31 31 ASP H H . . . 1 1 74 74 TYR HB2 H . . . . . . . 7.0 . . . . . A . 31 ASP H . . A . 74 TYR HB2 . . . 31 ASP- HN . . . . . 74 TYR QB . . rr_1aqa 1 748 2 OR . 1 1 31 31 ASP H H . . . 1 1 74 74 TYR HB3 H . . . . . . . 7.0 . . . . . A . 31 ASP H . . A . 74 TYR HB3 . . . 31 ASP- HN . . . . . 74 TYR QB . . rr_1aqa 1 749 1 . . 1 1 31 31 ASP H H . . . 1 1 74 74 TYR CG C . . . . . . . 8.0 . . . . . A . 31 ASP H . . A . 74 TYR CG . . . 31 ASP- HN . . . . . 74 TYR CG . . rr_1aqa 1 750 1 . . 1 1 31 31 ASP H H . . . 1 1 75 75 ILE H H . . . . . . . 4.8 . . . . . A . 31 ASP H . . A . 75 ILE H . . . 31 ASP- HN . . . . . 75 ILE HN . . rr_1aqa 1 751 1 . . 1 1 31 31 ASP H H . . . 1 1 75 75 ILE HA H . . . . . . . 5.0 . . . . . A . 31 ASP H . . A . 75 ILE HA . . . 31 ASP- HN . . . . . 75 ILE HA . . rr_1aqa 1 752 1 . . 1 1 76 76 ILE MG H . . . 1 1 31 31 ASP H H . . . . . . . 4.5 . . . . . A . 76 ILE MG . . A . 31 ASP H . . . 76 ILE QG2 . . . . . 31 ASP- HN . . rr_1aqa 1 753 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 31 31 ASP H H . . . . . . . 6.0 . . . . . A . 76 ILE HG13 . . A . 31 ASP H . . . 76 ILE HG13 . . . . . 31 ASP- HN . . rr_1aqa 1 754 1 . . 1 1 76 76 ILE MD H . . . 1 1 31 31 ASP H H . . . . . . . 6.9 . . . . . A . 76 ILE MD . . A . 31 ASP H . . . 76 ILE QD1 . . . . . 31 ASP- HN . . rr_1aqa 1 755 1 . . 1 1 31 31 ASP HA H . . . 1 1 31 31 ASP HB2 H . . . . . . . 4.2 . . . . . A . 31 ASP HA . . A . 31 ASP HB2 . . . 31 ASP- HA . . . . . 31 ASP- HB2 . . rr_1aqa 1 756 1 . . 1 1 31 31 ASP HA H . . . 1 1 31 31 ASP HB3 H . . . . . . . 4.5 . . . . . A . 31 ASP HA . . A . 31 ASP HB3 . . . 31 ASP- HA . . . . . 31 ASP- HB3 . . rr_1aqa 1 757 1 . . 1 1 31 31 ASP HA H . . . 1 1 32 32 LEU H H . . . . . . . 3.9 . . . . . A . 31 ASP HA . . A . 32 LEU H . . . 31 ASP- HA . . . . . 32 LEU HN . . rr_1aqa 1 758 1 . . 1 1 31 31 ASP HA H . . . 1 1 32 32 LEU MD1 H . . . . . . . 7.0 . . . . . A . 31 ASP HA . . A . 32 LEU MD1 . . . 31 ASP- HA . . . . . 32 LEU QD1 . . rr_1aqa 1 759 1 . . 1 1 76 76 ILE MD H . . . 1 1 31 31 ASP HA H . . . . . . . 7.0 . . . . . A . 76 ILE MD . . A . 31 ASP HA . . . 76 ILE QD1 . . . . . 31 ASP- HA . . rr_1aqa 1 760 1 . . 1 1 32 32 LEU H H . . . 1 1 31 31 ASP HB2 H . . . . . . . 5.4 . . . . . A . 32 LEU H . . A . 31 ASP HB2 . . . 32 LEU HN . . . . . 31 ASP- HB2 . . rr_1aqa 1 761 1 . . 1 1 76 76 ILE MG H . . . 1 1 31 31 ASP HB2 H . . . . . . . 4.2 . . . . . A . 76 ILE MG . . A . 31 ASP HB2 . . . 76 ILE QG2 . . . . . 31 ASP- HB2 . . rr_1aqa 1 762 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 31 31 ASP HB2 H . . . . . . . 6.0 . . . . . A . 76 ILE HG13 . . A . 31 ASP HB2 . . . 76 ILE HG13 . . . . . 31 ASP- HB2 . . rr_1aqa 1 763 1 . . 1 1 76 76 ILE MD H . . . 1 1 31 31 ASP HB2 H . . . . . . . 5.7 . . . . . A . 76 ILE MD . . A . 31 ASP HB2 . . . 76 ILE QD1 . . . . . 31 ASP- HB2 . . rr_1aqa 1 764 1 . . 1 1 32 32 LEU H H . . . 1 1 31 31 ASP HB3 H . . . . . . . 5.1 . . . . . A . 32 LEU H . . A . 31 ASP HB3 . . . 32 LEU HN . . . . . 31 ASP- HB3 . . rr_1aqa 1 765 1 . . 1 1 32 32 LEU HA H . . . 1 1 32 32 LEU H H . . . . . . . 3.6 . . . . . A . 32 LEU HA . . A . 32 LEU H . . . 32 LEU HA . . . . . 32 LEU HN . . rr_1aqa 1 766 1 OR . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU HB2 H . . . . . . . 4.5 . . . . . A . 32 LEU H . . A . 32 LEU HB2 . . . 32 LEU HN . . . . . 32 LEU QB . . rr_1aqa 1 766 2 OR . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU HB3 H . . . . . . . 4.5 . . . . . A . 32 LEU H . . A . 32 LEU HB3 . . . 32 LEU HN . . . . . 32 LEU QB . . rr_1aqa 1 767 1 . . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU HG H . . . . . . . 4.0 . . . . . A . 32 LEU H . . A . 32 LEU HG . . . 32 LEU HN . . . . . 32 LEU HG . . rr_1aqa 1 768 1 . . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU MD1 H . . . . . . . 4.3 . . . . . A . 32 LEU H . . A . 32 LEU MD1 . . . 32 LEU HN . . . . . 32 LEU QD1 . . rr_1aqa 1 769 1 . . 1 1 32 32 LEU H H . . . 1 1 32 32 LEU MD2 H . . . . . . . 4.7 . . . . . A . 32 LEU H . . A . 32 LEU MD2 . . . 32 LEU HN . . . . . 32 LEU QD2 . . rr_1aqa 1 770 1 . . 1 1 32 32 LEU HA H . . . 1 1 32 32 LEU HG H . . . . . . . 4.9 . . . . . A . 32 LEU HA . . A . 32 LEU HG . . . 32 LEU HA . . . . . 32 LEU HG . . rr_1aqa 1 771 1 OR . 1 1 32 32 LEU HG H . . . 1 1 32 32 LEU HB2 H . . . . . . . 5.1 . . . . . A . 32 LEU HG . . A . 32 LEU HB2 . . . 32 LEU HG . . . . . 32 LEU QB . . rr_1aqa 1 771 2 OR . 1 1 32 32 LEU HB3 H . . . 1 1 32 32 LEU HG H . . . . . . . 5.1 . . . . . A . 32 LEU HB3 . . A . 32 LEU HG . . . 32 LEU QB . . . . . 32 LEU HG . . rr_1aqa 1 772 1 OR . 1 1 32 32 LEU MD1 H . . . 1 1 32 32 LEU HB2 H . . . . . . . 4.6 . . . . . A . 32 LEU MD1 . . A . 32 LEU HB2 . . . 32 LEU QD1 . . . . . 32 LEU QB . . rr_1aqa 1 772 2 OR . 1 1 32 32 LEU MD1 H . . . 1 1 32 32 LEU HB3 H . . . . . . . 4.6 . . . . . A . 32 LEU MD1 . . A . 32 LEU HB3 . . . 32 LEU QD1 . . . . . 32 LEU QB . . rr_1aqa 1 773 1 OR . 1 1 32 32 LEU MD2 H . . . 1 1 32 32 LEU HB2 H . . . . . . . 4.5 . . . . . A . 32 LEU MD2 . . A . 32 LEU HB2 . . . 32 LEU QD2 . . . . . 32 LEU QB . . rr_1aqa 1 773 2 OR . 1 1 32 32 LEU HB3 H . . . 1 1 32 32 LEU MD2 H . . . . . . . 4.5 . . . . . A . 32 LEU HB3 . . A . 32 LEU MD2 . . . 32 LEU QB . . . . . 32 LEU QD2 . . rr_1aqa 1 774 1 OR . 1 1 46 46 LEU MD2 H . . . 1 1 32 32 LEU HB2 H . . . . . . . 8.0 . . . . . A . 46 LEU MD2 . . A . 32 LEU HB2 . . . 46 LEU QD2 . . . . . 32 LEU QB . . rr_1aqa 1 774 2 OR . 1 1 46 46 LEU MD2 H . . . 1 1 32 32 LEU HB3 H . . . . . . . 8.0 . . . . . A . 46 LEU MD2 . . A . 32 LEU HB3 . . . 46 LEU QD2 . . . . . 32 LEU QB . . rr_1aqa 1 775 1 OR . 1 1 74 74 TYR CG C . . . 1 1 32 32 LEU HB2 H . . . . . . . 9.0 . . . . . A . 74 TYR CG . . A . 32 LEU HB2 . . . 74 TYR CG . . . . . 32 LEU QB . . rr_1aqa 1 775 2 OR . 1 1 32 32 LEU HB3 H . . . 1 1 74 74 TYR CG C . . . . . . . 9.0 . . . . . A . 32 LEU HB3 . . A . 74 TYR CG . . . 32 LEU QB . . . . . 74 TYR CG . . rr_1aqa 1 776 1 . . 1 1 32 32 LEU MD1 H . . . 1 1 32 32 LEU HG H . . . . . . . 5.5 . . . . . A . 32 LEU MD1 . . A . 32 LEU HG . . . 32 LEU QD1 . . . . . 32 LEU HG . . rr_1aqa 1 777 1 . . 1 1 32 32 LEU HG H . . . 1 1 32 32 LEU MD2 H . . . . . . . 4.2 . . . . . A . 32 LEU HG . . A . 32 LEU MD2 . . . 32 LEU HG . . . . . 32 LEU QD2 . . rr_1aqa 1 778 1 . . 1 1 32 32 LEU MD1 H . . . 1 1 35 35 PHE HB3 H . . . . . . . 4.8 . . . . . A . 32 LEU MD1 . . A . 35 PHE HB3 . . . 32 LEU QD1 . . . . . 35 PHE HB3 . . rr_1aqa 1 779 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 32 32 LEU MD1 H . . . . . . . 5.5 . . . . . A . 36 LEU MD1 . . A . 32 LEU MD1 . . . 36 LEU QD1 . . . . . 32 LEU QD1 . . rr_1aqa 1 780 1 . . 1 1 32 32 LEU MD2 H . . . 1 1 46 46 LEU H H . . . . . . . 5.7 . . . . . A . 32 LEU MD2 . . A . 46 LEU H . . . 32 LEU QD2 . . . . . 46 LEU HN . . rr_1aqa 1 781 1 . . 1 1 33 33 THR HA H . . . 1 1 33 33 THR H H . . . . . . . 4.0 . . . . . A . 33 THR HA . . A . 33 THR H . . . 33 THR HA . . . . . 33 THR HN . . rr_1aqa 1 782 1 . . 1 1 33 33 THR H H . . . 1 1 33 33 THR HB H . . . . . . . 4.5 . . . . . A . 33 THR H . . A . 33 THR HB . . . 33 THR HN . . . . . 33 THR HB . . rr_1aqa 1 783 1 . . 1 1 33 33 THR MG H . . . 1 1 33 33 THR H H . . . . . . . 5.3 . . . . . A . 33 THR MG . . A . 33 THR H . . . 33 THR QG2 . . . . . 33 THR HN . . rr_1aqa 1 784 1 . . 1 1 33 33 THR HA H . . . 1 1 33 33 THR HB H . . . . . . . 4.6 . . . . . A . 33 THR HA . . A . 33 THR HB . . . 33 THR HA . . . . . 33 THR HB . . rr_1aqa 1 785 1 . . 1 1 33 33 THR HA H . . . 1 1 33 33 THR MG H . . . . . . . 3.9 . . . . . A . 33 THR HA . . A . 33 THR MG . . . 33 THR HA . . . . . 33 THR QG2 . . rr_1aqa 1 786 1 . . 1 1 33 33 THR HA H . . . 1 1 36 36 LEU H H . . . . . . . 6.0 . . . . . A . 33 THR HA . . A . 36 LEU H . . . 33 THR HA . . . . . 36 LEU HN . . rr_1aqa 1 787 1 OR . 1 1 33 33 THR HA H . . . 1 1 36 36 LEU HB2 H . . . . . . . 7.0 . . . . . A . 33 THR HA . . A . 36 LEU HB2 . . . 33 THR HA . . . . . 36 LEU QB . . rr_1aqa 1 787 2 OR . 1 1 33 33 THR HA H . . . 1 1 36 36 LEU HB3 H . . . . . . . 7.0 . . . . . A . 33 THR HA . . A . 36 LEU HB3 . . . 33 THR HA . . . . . 36 LEU QB . . rr_1aqa 1 788 1 . . 1 1 33 33 THR MG H . . . 1 1 33 33 THR HB H . . . . . . . 4.0 . . . . . A . 33 THR MG . . A . 33 THR HB . . . 33 THR QG2 . . . . . 33 THR HB . . rr_1aqa 1 789 1 . . 1 1 33 33 THR MG H . . . 1 1 34 34 LYS H H . . . . . . . 7.0 . . . . . A . 33 THR MG . . A . 34 LYS H . . . 33 THR QG2 . . . . . 34 LYS+ HN . . rr_1aqa 1 790 1 . . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HA H . . . . . . . 3.7 . . . . . A . 34 LYS H . . A . 34 LYS HA . . . 34 LYS+ HN . . . . . 34 LYS+ HA . . rr_1aqa 1 791 1 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HB2 H . . . . . . . 4.5 . . . . . A . 34 LYS H . . A . 34 LYS HB2 . . . 34 LYS+ HN . . . . . 34 LYS+ QB . . rr_1aqa 1 791 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS H H . . . . . . . 4.5 . . . . . A . 34 LYS HB3 . . A . 34 LYS H . . . 34 LYS+ QB . . . . . 34 LYS+ HN . . rr_1aqa 1 792 1 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HG2 H . . . . . . . 6.8 . . . . . A . 34 LYS H . . A . 34 LYS HG2 . . . 34 LYS+ HN . . . . . 34 LYS+ QG . . rr_1aqa 1 792 2 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HG3 H . . . . . . . 6.8 . . . . . A . 34 LYS H . . A . 34 LYS HG3 . . . 34 LYS+ HN . . . . . 34 LYS+ QG . . rr_1aqa 1 793 1 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HD2 H . . . . . . . 6.2 . . . . . A . 34 LYS H . . A . 34 LYS HD2 . . . 34 LYS+ HN . . . . . 34 LYS+ QD . . rr_1aqa 1 793 2 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HD3 H . . . . . . . 6.2 . . . . . A . 34 LYS H . . A . 34 LYS HD3 . . . 34 LYS+ HN . . . . . 34 LYS+ QD . . rr_1aqa 1 794 1 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HE2 H . . . . . . . 5.6 . . . . . A . 34 LYS H . . A . 34 LYS HE2 . . . 34 LYS+ HN . . . . . 34 LYS+ QE . . rr_1aqa 1 794 2 OR . 1 1 34 34 LYS H H . . . 1 1 34 34 LYS HE3 H . . . . . . . 5.6 . . . . . A . 34 LYS H . . A . 34 LYS HE3 . . . 34 LYS+ HN . . . . . 34 LYS+ QE . . rr_1aqa 1 795 1 . . 1 1 34 34 LYS H H . . . 1 1 35 35 PHE H H . . . . . . . 4.5 . . . . . A . 34 LYS H . . A . 35 PHE H . . . 34 LYS+ HN . . . . . 35 PHE HN . . rr_1aqa 1 796 1 . . 1 1 36 36 LEU H H . . . 1 1 34 34 LYS H H . . . . . . . 6.0 . . . . . A . 36 LEU H . . A . 34 LYS H . . . 36 LEU HN . . . . . 34 LYS+ HN . . rr_1aqa 1 797 1 . . 1 1 34 34 LYS H H . . . 1 1 38 38 GLU H H . . . . . . . 6.0 . . . . . A . 34 LYS H . . A . 38 GLU H . . . 34 LYS+ HN . . . . . 38 GLU- HN . . rr_1aqa 1 798 1 OR . 1 1 34 34 LYS HA H . . . 1 1 34 34 LYS HB2 H . . . . . . . 5.4 . . . . . A . 34 LYS HA . . A . 34 LYS HB2 . . . 34 LYS+ HA . . . . . 34 LYS+ QB . . rr_1aqa 1 798 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HA H . . . . . . . 5.4 . . . . . A . 34 LYS HB3 . . A . 34 LYS HA . . . 34 LYS+ QB . . . . . 34 LYS+ HA . . rr_1aqa 1 799 1 OR . 1 1 34 34 LYS HA H . . . 1 1 34 34 LYS HG2 H . . . . . . . 4.9 . . . . . A . 34 LYS HA . . A . 34 LYS HG2 . . . 34 LYS+ HA . . . . . 34 LYS+ QG . . rr_1aqa 1 799 2 OR . 1 1 34 34 LYS HA H . . . 1 1 34 34 LYS HG3 H . . . . . . . 4.9 . . . . . A . 34 LYS HA . . A . 34 LYS HG3 . . . 34 LYS+ HA . . . . . 34 LYS+ QG . . rr_1aqa 1 800 1 OR . 1 1 34 34 LYS HA H . . . 1 1 34 34 LYS HD2 H . . . . . . . 5.9 . . . . . A . 34 LYS HA . . A . 34 LYS HD2 . . . 34 LYS+ HA . . . . . 34 LYS+ QD . . rr_1aqa 1 800 2 OR . 1 1 34 34 LYS HA H . . . 1 1 34 34 LYS HD3 H . . . . . . . 5.9 . . . . . A . 34 LYS HA . . A . 34 LYS HD3 . . . 34 LYS+ HA . . . . . 34 LYS+ QD . . rr_1aqa 1 801 1 . . 1 1 34 34 LYS HA H . . . 1 1 35 35 PHE H H . . . . . . . 4.6 . . . . . A . 34 LYS HA . . A . 35 PHE H . . . 34 LYS+ HA . . . . . 35 PHE HN . . rr_1aqa 1 802 1 . . 1 1 36 36 LEU H H . . . 1 1 34 34 LYS HA H . . . . . . . 6.0 . . . . . A . 36 LEU H . . A . 34 LYS HA . . . 36 LEU HN . . . . . 34 LYS+ HA . . rr_1aqa 1 803 1 . . 1 1 34 34 LYS HA H . . . 1 1 37 37 GLU H H . . . . . . . 6.0 . . . . . A . 34 LYS HA . . A . 37 GLU H . . . 34 LYS+ HA . . . . . 37 GLU- HN . . rr_1aqa 1 804 1 . . 1 1 34 34 LYS HA H . . . 1 1 37 37 GLU HB2 H . . . . . . . 4.9 . . . . . A . 34 LYS HA . . A . 37 GLU HB2 . . . 34 LYS+ HA . . . . . 37 GLU- HB2 . . rr_1aqa 1 805 1 OR . 1 1 34 34 LYS HB2 H . . . 1 1 34 34 LYS HG2 H . . . . . . . 6.8 . . . . . A . 34 LYS HB2 . . A . 34 LYS HG2 . . . 34 LYS+ QB . . . . . 34 LYS+ QG . . rr_1aqa 1 805 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HG2 H . . . . . . . 6.8 . . . . . A . 34 LYS HB3 . . A . 34 LYS HG2 . . . 34 LYS+ QB . . . . . 34 LYS+ QG . . rr_1aqa 1 805 3 OR . 1 1 34 34 LYS HG3 H . . . 1 1 34 34 LYS HB2 H . . . . . . . 6.8 . . . . . A . 34 LYS HG3 . . A . 34 LYS HB2 . . . 34 LYS+ QG . . . . . 34 LYS+ QB . . rr_1aqa 1 805 4 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HG3 H . . . . . . . 6.8 . . . . . A . 34 LYS HB3 . . A . 34 LYS HG3 . . . 34 LYS+ QB . . . . . 34 LYS+ QG . . rr_1aqa 1 806 1 OR . 1 1 34 34 LYS HB2 H . . . 1 1 34 34 LYS HD2 H . . . . . . . 6.6 . . . . . A . 34 LYS HB2 . . A . 34 LYS HD2 . . . 34 LYS+ QB . . . . . 34 LYS+ QD . . rr_1aqa 1 806 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HD2 H . . . . . . . 6.6 . . . . . A . 34 LYS HB3 . . A . 34 LYS HD2 . . . 34 LYS+ QB . . . . . 34 LYS+ QD . . rr_1aqa 1 806 3 OR . 1 1 34 34 LYS HD3 H . . . 1 1 34 34 LYS HB2 H . . . . . . . 6.6 . . . . . A . 34 LYS HD3 . . A . 34 LYS HB2 . . . 34 LYS+ QD . . . . . 34 LYS+ QB . . rr_1aqa 1 806 4 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HD3 H . . . . . . . 6.6 . . . . . A . 34 LYS HB3 . . A . 34 LYS HD3 . . . 34 LYS+ QB . . . . . 34 LYS+ QD . . rr_1aqa 1 807 1 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HE2 H . . . . . . . 8.0 . . . . . A . 34 LYS HB3 . . A . 34 LYS HE2 . . . 34 LYS+ QB . . . . . 34 LYS+ QE . . rr_1aqa 1 807 2 OR . 1 1 34 34 LYS HB2 H . . . 1 1 34 34 LYS HE2 H . . . . . . . 8.0 . . . . . A . 34 LYS HB2 . . A . 34 LYS HE2 . . . 34 LYS+ QB . . . . . 34 LYS+ QE . . rr_1aqa 1 807 3 OR . 1 1 34 34 LYS HE3 H . . . 1 1 34 34 LYS HB2 H . . . . . . . 8.0 . . . . . A . 34 LYS HE3 . . A . 34 LYS HB2 . . . 34 LYS+ QE . . . . . 34 LYS+ QB . . rr_1aqa 1 807 4 OR . 1 1 34 34 LYS HB3 H . . . 1 1 34 34 LYS HE3 H . . . . . . . 8.0 . . . . . A . 34 LYS HB3 . . A . 34 LYS HE3 . . . 34 LYS+ QB . . . . . 34 LYS+ QE . . rr_1aqa 1 808 1 OR . 1 1 35 35 PHE CG C . . . 1 1 34 34 LYS HB2 H . . . . . . . 9.0 . . . . . A . 35 PHE CG . . A . 34 LYS HB2 . . . 35 PHE CG . . . . . 34 LYS+ QB . . rr_1aqa 1 808 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 35 35 PHE CG C . . . . . . . 9.0 . . . . . A . 34 LYS HB3 . . A . 35 PHE CG . . . 34 LYS+ QB . . . . . 35 PHE CG . . rr_1aqa 1 809 1 OR . 1 1 37 37 GLU H H . . . 1 1 34 34 LYS HB2 H . . . . . . . 7.0 . . . . . A . 37 GLU H . . A . 34 LYS HB2 . . . 37 GLU- HN . . . . . 34 LYS+ QB . . rr_1aqa 1 809 2 OR . 1 1 34 34 LYS HB3 H . . . 1 1 37 37 GLU H H . . . . . . . 7.0 . . . . . A . 34 LYS HB3 . . A . 37 GLU H . . . 34 LYS+ QB . . . . . 37 GLU- HN . . rr_1aqa 1 810 1 OR . 1 1 34 34 LYS HD3 H . . . 1 1 34 34 LYS HG2 H . . . . . . . 5.7 . . . . . A . 34 LYS HD3 . . A . 34 LYS HG2 . . . 34 LYS+ QD . . . . . 34 LYS+ QG . . rr_1aqa 1 810 2 OR . 1 1 34 34 LYS HD2 H . . . 1 1 34 34 LYS HG2 H . . . . . . . 5.7 . . . . . A . 34 LYS HD2 . . A . 34 LYS HG2 . . . 34 LYS+ QD . . . . . 34 LYS+ QG . . rr_1aqa 1 810 3 OR . 1 1 34 34 LYS HG3 H . . . 1 1 34 34 LYS HD2 H . . . . . . . 5.7 . . . . . A . 34 LYS HG3 . . A . 34 LYS HD2 . . . 34 LYS+ QG . . . . . 34 LYS+ QD . . rr_1aqa 1 810 4 OR . 1 1 34 34 LYS HG3 H . . . 1 1 34 34 LYS HD3 H . . . . . . . 5.7 . . . . . A . 34 LYS HG3 . . A . 34 LYS HD3 . . . 34 LYS+ QG . . . . . 34 LYS+ QD . . rr_1aqa 1 811 1 OR . 1 1 34 34 LYS HD2 H . . . 1 1 34 34 LYS HE2 H . . . . . . . 8.0 . . . . . A . 34 LYS HD2 . . A . 34 LYS HE2 . . . 34 LYS+ QD . . . . . 34 LYS+ QE . . rr_1aqa 1 811 2 OR . 1 1 34 34 LYS HD3 H . . . 1 1 34 34 LYS HE2 H . . . . . . . 8.0 . . . . . A . 34 LYS HD3 . . A . 34 LYS HE2 . . . 34 LYS+ QD . . . . . 34 LYS+ QE . . rr_1aqa 1 811 3 OR . 1 1 34 34 LYS HE3 H . . . 1 1 34 34 LYS HD2 H . . . . . . . 8.0 . . . . . A . 34 LYS HE3 . . A . 34 LYS HD2 . . . 34 LYS+ QE . . . . . 34 LYS+ QD . . rr_1aqa 1 811 4 OR . 1 1 34 34 LYS HD3 H . . . 1 1 34 34 LYS HE3 H . . . . . . . 8.0 . . . . . A . 34 LYS HD3 . . A . 34 LYS HE3 . . . 34 LYS+ QD . . . . . 34 LYS+ QE . . rr_1aqa 1 812 1 . . 1 1 35 35 PHE H H . . . 1 1 35 35 PHE HA H . . . . . . . 4.4 . . . . . A . 35 PHE H . . A . 35 PHE HA . . . 35 PHE HN . . . . . 35 PHE HA . . rr_1aqa 1 813 1 . . 1 1 35 35 PHE H H . . . 1 1 35 35 PHE HB2 H . . . . . . . 3.7 . . . . . A . 35 PHE H . . A . 35 PHE HB2 . . . 35 PHE HN . . . . . 35 PHE HB2 . . rr_1aqa 1 814 1 . . 1 1 35 35 PHE HB3 H . . . 1 1 35 35 PHE H H . . . . . . . 3.4 . . . . . A . 35 PHE HB3 . . A . 35 PHE H . . . 35 PHE HB3 . . . . . 35 PHE HN . . rr_1aqa 1 815 1 . . 1 1 35 35 PHE H H . . . 1 1 35 35 PHE CG C . . . . . . . 7.8 . . . . . A . 35 PHE H . . A . 35 PHE CG . . . 35 PHE HN . . . . . 35 PHE CG . . rr_1aqa 1 816 1 . . 1 1 36 36 LEU H H . . . 1 1 35 35 PHE H H . . . . . . . 3.4 . . . . . A . 36 LEU H . . A . 35 PHE H . . . 36 LEU HN . . . . . 35 PHE HN . . rr_1aqa 1 817 1 . . 1 1 35 35 PHE H H . . . 1 1 36 36 LEU HG H . . . . . . . 6.0 . . . . . A . 35 PHE H . . A . 36 LEU HG . . . 35 PHE HN . . . . . 36 LEU HG . . rr_1aqa 1 818 1 . . 1 1 35 35 PHE HA H . . . 1 1 35 35 PHE HB2 H . . . . . . . 5.1 . . . . . A . 35 PHE HA . . A . 35 PHE HB2 . . . 35 PHE HA . . . . . 35 PHE HB2 . . rr_1aqa 1 819 1 . . 1 1 35 35 PHE HB3 H . . . 1 1 35 35 PHE HA H . . . . . . . 5.0 . . . . . A . 35 PHE HB3 . . A . 35 PHE HA . . . 35 PHE HB3 . . . . . 35 PHE HA . . rr_1aqa 1 820 1 . . 1 1 35 35 PHE CG C . . . 1 1 35 35 PHE HA H . . . . . . . 6.1 . . . . . A . 35 PHE CG . . A . 35 PHE HA . . . 35 PHE CG . . . . . 35 PHE HA . . rr_1aqa 1 821 1 . . 1 1 36 36 LEU H H . . . 1 1 35 35 PHE HA H . . . . . . . 5.0 . . . . . A . 36 LEU H . . A . 35 PHE HA . . . 36 LEU HN . . . . . 35 PHE HA . . rr_1aqa 1 822 1 . . 1 1 38 38 GLU H H . . . 1 1 35 35 PHE HA H . . . . . . . 6.0 . . . . . A . 38 GLU H . . A . 35 PHE HA . . . 38 GLU- HN . . . . . 35 PHE HA . . rr_1aqa 1 823 1 . . 1 1 35 35 PHE HA H . . . 1 1 38 38 GLU HB2 H . . . . . . . 5.8 . . . . . A . 35 PHE HA . . A . 38 GLU HB2 . . . 35 PHE HA . . . . . 38 GLU- HB2 . . rr_1aqa 1 824 1 . . 1 1 35 35 PHE HA H . . . 1 1 39 39 HIS H H . . . . . . . 6.0 . . . . . A . 35 PHE HA . . A . 39 HIS H . . . 35 PHE HA . . . . . 39 HIS HN . . rr_1aqa 1 825 1 . . 1 1 35 35 PHE CG C . . . 1 1 35 35 PHE HB2 H . . . . . . . 6.3 . . . . . A . 35 PHE CG . . A . 35 PHE HB2 . . . 35 PHE CG . . . . . 35 PHE HB2 . . rr_1aqa 1 826 1 . . 1 1 36 36 LEU H H . . . 1 1 35 35 PHE HB2 H . . . . . . . 4.0 . . . . . A . 36 LEU H . . A . 35 PHE HB2 . . . 36 LEU HN . . . . . 35 PHE HB2 . . rr_1aqa 1 827 1 . . 1 1 35 35 PHE HB2 H . . . 1 1 39 39 HIS HB2 H . . . . . . . 6.0 . . . . . A . 35 PHE HB2 . . A . 39 HIS HB2 . . . 35 PHE HB2 . . . . . 39 HIS HB2 . . rr_1aqa 1 828 1 . . 1 1 35 35 PHE HB2 H . . . 1 1 74 74 TYR CZ C . . . . . . . 8.0 . . . . . A . 35 PHE HB2 . . A . 74 TYR CZ . . . 35 PHE HB2 . . . . . 74 TYR CZ . . rr_1aqa 1 829 1 . . 1 1 35 35 PHE HB3 H . . . 1 1 35 35 PHE CG C . . . . . . . 7.6 . . . . . A . 35 PHE HB3 . . A . 35 PHE CG . . . 35 PHE HB3 . . . . . 35 PHE CG . . rr_1aqa 1 830 1 . . 1 1 35 35 PHE CG C . . . 1 1 35 35 PHE CZ C . . . . . . . 10.0 . . . . . A . 35 PHE CG . . A . 35 PHE CZ . . . 35 PHE CG . . . . . 35 PHE CZ . . rr_1aqa 1 831 1 . . 1 1 35 35 PHE CG C . . . 1 1 35 35 PHE HZ H . . . . . . . 5.9 . . . . . A . 35 PHE CG . . A . 35 PHE HZ . . . 35 PHE CG . . . . . 35 PHE HZ . . rr_1aqa 1 832 1 OR . 1 1 35 35 PHE CG C . . . 1 1 36 36 LEU HB2 H . . . . . . . 9.0 . . . . . A . 35 PHE CG . . A . 36 LEU HB2 . . . 35 PHE CG . . . . . 36 LEU QB . . rr_1aqa 1 832 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 35 35 PHE CG C . . . . . . . 9.0 . . . . . A . 36 LEU HB3 . . A . 35 PHE CG . . . 36 LEU QB . . . . . 35 PHE CG . . rr_1aqa 1 833 1 . . 1 1 35 35 PHE CG C . . . 1 1 38 38 GLU HB3 H . . . . . . . 8.0 . . . . . A . 35 PHE CG . . A . 38 GLU HB3 . . . 35 PHE CG . . . . . 38 GLU- HB3 . . rr_1aqa 1 834 1 . . 1 1 35 35 PHE CG C . . . 1 1 39 39 HIS HB3 H . . . . . . . 8.0 . . . . . A . 35 PHE CG . . A . 39 HIS HB3 . . . 35 PHE CG . . . . . 39 HIS HB3 . . rr_1aqa 1 835 1 OR . 1 1 35 35 PHE CG C . . . 1 1 40 40 PRO HG2 H . . . . . . . 9.0 . . . . . A . 35 PHE CG . . A . 40 PRO HG2 . . . 35 PHE CG . . . . . 40 PRO QG . . rr_1aqa 1 835 2 OR . 1 1 35 35 PHE CG C . . . 1 1 40 40 PRO HG3 H . . . . . . . 9.0 . . . . . A . 35 PHE CG . . A . 40 PRO HG3 . . . 35 PHE CG . . . . . 40 PRO QG . . rr_1aqa 1 836 1 . . 1 1 35 35 PHE CG C . . . 1 1 46 46 LEU MD1 H . . . . . . . 8.1 . . . . . A . 35 PHE CG . . A . 46 LEU MD1 . . . 35 PHE CG . . . . . 46 LEU QD1 . . rr_1aqa 1 837 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 35 35 PHE CG C . . . . . . . 8.9 . . . . . A . 46 LEU MD2 . . A . 35 PHE CG . . . 46 LEU QD2 . . . . . 35 PHE CG . . rr_1aqa 1 838 1 . . 1 1 35 35 PHE CG C . . . 1 1 70 70 LEU MD2 H . . . . . . . 9.0 . . . . . A . 35 PHE CG . . A . 70 LEU MD2 . . . 35 PHE CG . . . . . 70 LEU QD2 . . rr_1aqa 1 839 1 . . 1 1 35 35 PHE CG C . . . 1 1 74 74 TYR CZ C . . . . . . . 10.0 . . . . . A . 35 PHE CG . . A . 74 TYR CZ . . . 35 PHE CG . . . . . 74 TYR CZ . . rr_1aqa 1 840 1 . . 1 1 35 35 PHE CZ C . . . 1 1 35 35 PHE HZ H . . . . . . . 6.1 . . . . . A . 35 PHE CZ . . A . 35 PHE HZ . . . 35 PHE CZ . . . . . 35 PHE HZ . . rr_1aqa 1 841 1 . . 1 1 35 35 PHE CZ C . . . 1 1 39 39 HIS HA H . . . . . . . 8.0 . . . . . A . 35 PHE CZ . . A . 39 HIS HA . . . 35 PHE CZ . . . . . 39 HIS HA . . rr_1aqa 1 842 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 35 35 PHE CZ C . . . . . . . 8.0 . . . . . A . 39 HIS HB2 . . A . 35 PHE CZ . . . 39 HIS HB2 . . . . . 35 PHE CZ . . rr_1aqa 1 843 1 . . 1 1 35 35 PHE CZ C . . . 1 1 40 40 PRO HA H . . . . . . . 8.0 . . . . . A . 35 PHE CZ . . A . 40 PRO HA . . . 35 PHE CZ . . . . . 40 PRO HA . . rr_1aqa 1 844 1 OR . 1 1 35 35 PHE CZ C . . . 1 1 40 40 PRO HG2 H . . . . . . . 9.0 . . . . . A . 35 PHE CZ . . A . 40 PRO HG2 . . . 35 PHE CZ . . . . . 40 PRO QG . . rr_1aqa 1 844 2 OR . 1 1 35 35 PHE CZ C . . . 1 1 40 40 PRO HG3 H . . . . . . . 9.0 . . . . . A . 35 PHE CZ . . A . 40 PRO HG3 . . . 35 PHE CZ . . . . . 40 PRO QG . . rr_1aqa 1 845 1 . . 1 1 35 35 PHE CZ C . . . 1 1 40 40 PRO HD2 H . . . . . . . 8.0 . . . . . A . 35 PHE CZ . . A . 40 PRO HD2 . . . 35 PHE CZ . . . . . 40 PRO HD2 . . rr_1aqa 1 846 1 . . 1 1 35 35 PHE CZ C . . . 1 1 46 46 LEU MD1 H . . . . . . . 9.0 . . . . . A . 35 PHE CZ . . A . 46 LEU MD1 . . . 35 PHE CZ . . . . . 46 LEU QD1 . . rr_1aqa 1 847 1 . . 1 1 35 35 PHE CZ C . . . 1 1 70 70 LEU HG H . . . . . . . 8.0 . . . . . A . 35 PHE CZ . . A . 70 LEU HG . . . 35 PHE CZ . . . . . 70 LEU HG . . rr_1aqa 1 848 1 . . 1 1 35 35 PHE HZ H . . . 1 1 39 39 HIS HA H . . . . . . . 6.0 . . . . . A . 35 PHE HZ . . A . 39 HIS HA . . . 35 PHE HZ . . . . . 39 HIS HA . . rr_1aqa 1 849 1 . . 1 1 35 35 PHE HZ H . . . 1 1 39 39 HIS HB3 H . . . . . . . 6.0 . . . . . A . 35 PHE HZ . . A . 39 HIS HB3 . . . 35 PHE HZ . . . . . 39 HIS HB3 . . rr_1aqa 1 850 1 OR . 1 1 35 35 PHE HZ H . . . 1 1 40 40 PRO HG2 H . . . . . . . 7.0 . . . . . A . 35 PHE HZ . . A . 40 PRO HG2 . . . 35 PHE HZ . . . . . 40 PRO QG . . rr_1aqa 1 850 2 OR . 1 1 35 35 PHE HZ H . . . 1 1 40 40 PRO HG3 H . . . . . . . 7.0 . . . . . A . 35 PHE HZ . . A . 40 PRO HG3 . . . 35 PHE HZ . . . . . 40 PRO QG . . rr_1aqa 1 851 1 . . 1 1 35 35 PHE HZ H . . . 1 1 40 40 PRO HD2 H . . . . . . . 5.2 . . . . . A . 35 PHE HZ . . A . 40 PRO HD2 . . . 35 PHE HZ . . . . . 40 PRO HD2 . . rr_1aqa 1 852 1 . . 1 1 35 35 PHE HZ H . . . 1 1 46 46 LEU MD1 H . . . . . . . 6.4 . . . . . A . 35 PHE HZ . . A . 46 LEU MD1 . . . 35 PHE HZ . . . . . 46 LEU QD1 . . rr_1aqa 1 853 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 35 35 PHE HZ H . . . . . . . 6.8 . . . . . A . 46 LEU MD2 . . A . 35 PHE HZ . . . 46 LEU QD2 . . . . . 35 PHE HZ . . rr_1aqa 1 854 1 . . 1 1 35 35 PHE HZ H . . . 1 1 70 70 LEU HG H . . . . . . . 6.0 . . . . . A . 35 PHE HZ . . A . 70 LEU HG . . . 35 PHE HZ . . . . . 70 LEU HG . . rr_1aqa 1 855 1 . . 1 1 74 74 TYR CZ C . . . 1 1 35 35 PHE HZ H . . . . . . . 8.0 . . . . . A . 74 TYR CZ . . A . 35 PHE HZ . . . 74 TYR CZ . . . . . 35 PHE HZ . . rr_1aqa 1 856 1 . . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HA H . . . . . . . 3.5 . . . . . A . 36 LEU H . . A . 36 LEU HA . . . 36 LEU HN . . . . . 36 LEU HA . . rr_1aqa 1 857 1 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HB2 H . . . . . . . 4.3 . . . . . A . 36 LEU H . . A . 36 LEU HB2 . . . 36 LEU HN . . . . . 36 LEU QB . . rr_1aqa 1 857 2 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HB3 H . . . . . . . 4.3 . . . . . A . 36 LEU H . . A . 36 LEU HB3 . . . 36 LEU HN . . . . . 36 LEU QB . . rr_1aqa 1 858 1 . . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HG H . . . . . . . 3.8 . . . . . A . 36 LEU H . . A . 36 LEU HG . . . 36 LEU HN . . . . . 36 LEU HG . . rr_1aqa 1 859 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 36 36 LEU H H . . . . . . . 4.9 . . . . . A . 36 LEU MD1 . . A . 36 LEU H . . . 36 LEU QD1 . . . . . 36 LEU HN . . rr_1aqa 1 860 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU H H . . . . . . . 4.9 . . . . . A . 36 LEU MD2 . . A . 36 LEU H . . . 36 LEU QD2 . . . . . 36 LEU HN . . rr_1aqa 1 861 1 . . 1 1 36 36 LEU H H . . . 1 1 37 37 GLU H H . . . . . . . 3.8 . . . . . A . 36 LEU H . . A . 37 GLU H . . . 36 LEU HN . . . . . 37 GLU- HN . . rr_1aqa 1 862 1 . . 1 1 36 36 LEU H H . . . 1 1 46 46 LEU MD1 H . . . . . . . 7.0 . . . . . A . 36 LEU H . . A . 46 LEU MD1 . . . 36 LEU HN . . . . . 46 LEU QD1 . . rr_1aqa 1 863 1 OR . 1 1 36 36 LEU HA H . . . 1 1 36 36 LEU HB2 H . . . . . . . 5.6 . . . . . A . 36 LEU HA . . A . 36 LEU HB2 . . . 36 LEU HA . . . . . 36 LEU QB . . rr_1aqa 1 863 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 36 36 LEU HA H . . . . . . . 5.6 . . . . . A . 36 LEU HB3 . . A . 36 LEU HA . . . 36 LEU QB . . . . . 36 LEU HA . . rr_1aqa 1 864 1 . . 1 1 36 36 LEU HG H . . . 1 1 36 36 LEU HA H . . . . . . . 3.6 . . . . . A . 36 LEU HG . . A . 36 LEU HA . . . 36 LEU HG . . . . . 36 LEU HA . . rr_1aqa 1 865 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 36 36 LEU HA H . . . . . . . 5.2 . . . . . A . 36 LEU MD1 . . A . 36 LEU HA . . . 36 LEU QD1 . . . . . 36 LEU HA . . rr_1aqa 1 866 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU HA H . . . . . . . 3.9 . . . . . A . 36 LEU MD2 . . A . 36 LEU HA . . . 36 LEU QD2 . . . . . 36 LEU HA . . rr_1aqa 1 867 1 . . 1 1 37 37 GLU H H . . . 1 1 36 36 LEU HA H . . . . . . . 5.2 . . . . . A . 37 GLU H . . A . 36 LEU HA . . . 37 GLU- HN . . . . . 36 LEU HA . . rr_1aqa 1 868 1 . . 1 1 36 36 LEU HA H . . . 1 1 37 37 GLU HA H . . . . . . . 5.1 . . . . . A . 36 LEU HA . . A . 37 GLU HA . . . 36 LEU HA . . . . . 37 GLU- HA . . rr_1aqa 1 869 1 . . 1 1 39 39 HIS H H . . . 1 1 36 36 LEU HA H . . . . . . . 5.9 . . . . . A . 39 HIS H . . A . 36 LEU HA . . . 39 HIS HN . . . . . 36 LEU HA . . rr_1aqa 1 870 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 36 36 LEU HA H . . . . . . . 5.9 . . . . . A . 39 HIS HB2 . . A . 36 LEU HA . . . 39 HIS HB2 . . . . . 36 LEU HA . . rr_1aqa 1 871 1 . . 1 1 36 36 LEU HA H . . . 1 1 43 43 GLU HA H . . . . . . . 4.2 . . . . . A . 36 LEU HA . . A . 43 GLU HA . . . 36 LEU HA . . . . . 43 GLU- HA . . rr_1aqa 1 872 1 OR . 1 1 36 36 LEU HA H . . . 1 1 43 43 GLU HG2 H . . . . . . . 7.0 . . . . . A . 36 LEU HA . . A . 43 GLU HG2 . . . 36 LEU HA . . . . . 43 GLU- QG . . rr_1aqa 1 872 2 OR . 1 1 36 36 LEU HA H . . . 1 1 43 43 GLU HG3 H . . . . . . . 7.0 . . . . . A . 36 LEU HA . . A . 43 GLU HG3 . . . 36 LEU HA . . . . . 43 GLU- QG . . rr_1aqa 1 873 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 36 36 LEU HA H . . . . . . . 4.4 . . . . . A . 46 LEU MD1 . . A . 36 LEU HA . . . 46 LEU QD1 . . . . . 36 LEU HA . . rr_1aqa 1 874 1 OR . 1 1 36 36 LEU HG H . . . 1 1 36 36 LEU HB2 H . . . . . . . 4.5 . . . . . A . 36 LEU HG . . A . 36 LEU HB2 . . . 36 LEU HG . . . . . 36 LEU QB . . rr_1aqa 1 874 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 36 36 LEU HG H . . . . . . . 4.5 . . . . . A . 36 LEU HB3 . . A . 36 LEU HG . . . 36 LEU QB . . . . . 36 LEU HG . . rr_1aqa 1 875 1 OR . 1 1 36 36 LEU MD1 H . . . 1 1 36 36 LEU HB2 H . . . . . . . 5.3 . . . . . A . 36 LEU MD1 . . A . 36 LEU HB2 . . . 36 LEU QD1 . . . . . 36 LEU QB . . rr_1aqa 1 875 2 OR . 1 1 36 36 LEU MD1 H . . . 1 1 36 36 LEU HB3 H . . . . . . . 5.3 . . . . . A . 36 LEU MD1 . . A . 36 LEU HB3 . . . 36 LEU QD1 . . . . . 36 LEU QB . . rr_1aqa 1 876 1 OR . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU HB2 H . . . . . . . 6.2 . . . . . A . 36 LEU MD2 . . A . 36 LEU HB2 . . . 36 LEU QD2 . . . . . 36 LEU QB . . rr_1aqa 1 876 2 OR . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU HB3 H . . . . . . . 6.2 . . . . . A . 36 LEU MD2 . . A . 36 LEU HB3 . . . 36 LEU QD2 . . . . . 36 LEU QB . . rr_1aqa 1 877 1 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 LEU HB2 H . . . . . . . 5.3 . . . . . A . 37 GLU H . . A . 36 LEU HB2 . . . 37 GLU- HN . . . . . 36 LEU QB . . rr_1aqa 1 877 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 37 37 GLU H H . . . . . . . 5.3 . . . . . A . 36 LEU HB3 . . A . 37 GLU H . . . 36 LEU QB . . . . . 37 GLU- HN . . rr_1aqa 1 878 1 OR . 1 1 46 46 LEU MD1 H . . . 1 1 36 36 LEU HB2 H . . . . . . . 7.5 . . . . . A . 46 LEU MD1 . . A . 36 LEU HB2 . . . 46 LEU QD1 . . . . . 36 LEU QB . . rr_1aqa 1 878 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 7.5 . . . . . A . 36 LEU HB3 . . A . 46 LEU MD1 . . . 36 LEU QB . . . . . 46 LEU QD1 . . rr_1aqa 1 879 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 36 36 LEU HG H . . . . . . . 3.8 . . . . . A . 36 LEU MD1 . . A . 36 LEU HG . . . 36 LEU QD1 . . . . . 36 LEU HG . . rr_1aqa 1 880 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU HG H . . . . . . . 4.0 . . . . . A . 36 LEU MD2 . . A . 36 LEU HG . . . 36 LEU QD2 . . . . . 36 LEU HG . . rr_1aqa 1 881 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 46 46 LEU HB2 H . . . . . . . 5.3 . . . . . A . 36 LEU MD1 . . A . 46 LEU HB2 . . . 36 LEU QD1 . . . . . 46 LEU HB2 . . rr_1aqa 1 882 1 . . 1 1 36 36 LEU MD1 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 6.1 . . . . . A . 36 LEU MD1 . . A . 46 LEU MD1 . . . 36 LEU QD1 . . . . . 46 LEU QD1 . . rr_1aqa 1 883 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 43 43 GLU HA H . . . . . . . 5.3 . . . . . A . 36 LEU MD2 . . A . 43 GLU HA . . . 36 LEU QD2 . . . . . 43 GLU- HA . . rr_1aqa 1 884 1 OR . 1 1 36 36 LEU MD2 H . . . 1 1 43 43 GLU HG2 H . . . . . . . 7.6 . . . . . A . 36 LEU MD2 . . A . 43 GLU HG2 . . . 36 LEU QD2 . . . . . 43 GLU- QG . . rr_1aqa 1 884 2 OR . 1 1 36 36 LEU MD2 H . . . 1 1 43 43 GLU HG3 H . . . . . . . 7.6 . . . . . A . 36 LEU MD2 . . A . 43 GLU HG3 . . . 36 LEU QD2 . . . . . 43 GLU- QG . . rr_1aqa 1 885 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 46 46 LEU HA H . . . . . . . 7.0 . . . . . A . 36 LEU MD2 . . A . 46 LEU HA . . . 36 LEU QD2 . . . . . 46 LEU HA . . rr_1aqa 1 886 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 46 46 LEU HB2 H . . . . . . . 4.7 . . . . . A . 36 LEU MD2 . . A . 46 LEU HB2 . . . 36 LEU QD2 . . . . . 46 LEU HB2 . . rr_1aqa 1 887 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 46 46 LEU HB3 H . . . . . . . 4.9 . . . . . A . 36 LEU MD2 . . A . 46 LEU HB3 . . . 36 LEU QD2 . . . . . 46 LEU HB3 . . rr_1aqa 1 888 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 5.1 . . . . . A . 36 LEU MD2 . . A . 46 LEU MD1 . . . 36 LEU QD2 . . . . . 46 LEU QD1 . . rr_1aqa 1 889 1 . . 1 1 36 36 LEU MD2 H . . . 1 1 47 47 ARG H H . . . . . . . 7.0 . . . . . A . 36 LEU MD2 . . A . 47 ARG H . . . 36 LEU QD2 . . . . . 47 ARG+ HN . . rr_1aqa 1 890 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HA H . . . . . . . 3.9 . . . . . A . 37 GLU H . . A . 37 GLU HA . . . 37 GLU- HN . . . . . 37 GLU- HA . . rr_1aqa 1 891 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 4.2 . . . . . A . 37 GLU H . . A . 37 GLU HB2 . . . 37 GLU- HN . . . . . 37 GLU- HB2 . . rr_1aqa 1 892 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 3.5 . . . . . A . 37 GLU H . . A . 37 GLU HB3 . . . 37 GLU- HN . . . . . 37 GLU- HB3 . . rr_1aqa 1 893 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . . . 5.7 . . . . . A . 37 GLU H . . A . 37 GLU HG2 . . . 37 GLU- HN . . . . . 37 GLU- QG . . rr_1aqa 1 893 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . . . 5.7 . . . . . A . 37 GLU H . . A . 37 GLU HG3 . . . 37 GLU- HN . . . . . 37 GLU- QG . . rr_1aqa 1 894 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU H H . . . . . . . 3.8 . . . . . A . 38 GLU H . . A . 37 GLU H . . . 38 GLU- HN . . . . . 37 GLU- HN . . rr_1aqa 1 895 1 . . 1 1 37 37 GLU H H . . . 1 1 39 39 HIS H H . . . . . . . 6.0 . . . . . A . 37 GLU H . . A . 39 HIS H . . . 37 GLU- HN . . . . . 39 HIS HN . . rr_1aqa 1 896 1 OR . 1 1 37 37 GLU H H . . . 1 1 43 43 GLU HG2 H . . . . . . . 7.0 . . . . . A . 37 GLU H . . A . 43 GLU HG2 . . . 37 GLU- HN . . . . . 43 GLU- QG . . rr_1aqa 1 896 2 OR . 1 1 37 37 GLU H H . . . 1 1 43 43 GLU HG3 H . . . . . . . 7.0 . . . . . A . 37 GLU H . . A . 43 GLU HG3 . . . 37 GLU- HN . . . . . 43 GLU- QG . . rr_1aqa 1 897 1 . . 1 1 37 37 GLU HB2 H . . . 1 1 37 37 GLU HA H . . . . . . . 2.8 . . . . . A . 37 GLU HB2 . . A . 37 GLU HA . . . 37 GLU- HB2 . . . . . 37 GLU- HA . . rr_1aqa 1 898 1 OR . 1 1 37 37 GLU HA H . . . 1 1 37 37 GLU HG2 H . . . . . . . 4.8 . . . . . A . 37 GLU HA . . A . 37 GLU HG2 . . . 37 GLU- HA . . . . . 37 GLU- QG . . rr_1aqa 1 898 2 OR . 1 1 37 37 GLU HA H . . . 1 1 37 37 GLU HG3 H . . . . . . . 4.8 . . . . . A . 37 GLU HA . . A . 37 GLU HG3 . . . 37 GLU- HA . . . . . 37 GLU- QG . . rr_1aqa 1 899 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HA H . . . . . . . 4.7 . . . . . A . 38 GLU H . . A . 37 GLU HA . . . 38 GLU- HN . . . . . 37 GLU- HA . . rr_1aqa 1 900 1 . . 1 1 37 37 GLU HA H . . . 1 1 38 38 GLU HA H . . . . . . . 4.8 . . . . . A . 37 GLU HA . . A . 38 GLU HA . . . 37 GLU- HA . . . . . 38 GLU- HA . . rr_1aqa 1 901 1 . . 1 1 39 39 HIS H H . . . 1 1 37 37 GLU HA H . . . . . . . 5.4 . . . . . A . 39 HIS H . . A . 37 GLU HA . . . 39 HIS HN . . . . . 37 GLU- HA . . rr_1aqa 1 902 1 OR . 1 1 37 37 GLU HB2 H . . . 1 1 37 37 GLU HG2 H . . . . . . . 4.1 . . . . . A . 37 GLU HB2 . . A . 37 GLU HG2 . . . 37 GLU- HB2 . . . . . 37 GLU- QG . . rr_1aqa 1 902 2 OR . 1 1 37 37 GLU HB2 H . . . 1 1 37 37 GLU HG3 H . . . . . . . 4.1 . . . . . A . 37 GLU HB2 . . A . 37 GLU HG3 . . . 37 GLU- HB2 . . . . . 37 GLU- QG . . rr_1aqa 1 903 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . . . 5.1 . . . . . A . 38 GLU H . . A . 37 GLU HB2 . . . 38 GLU- HN . . . . . 37 GLU- HB2 . . rr_1aqa 1 904 1 OR . 1 1 37 37 GLU HB3 H . . . 1 1 37 37 GLU HG2 H . . . . . . . 5.3 . . . . . A . 37 GLU HB3 . . A . 37 GLU HG2 . . . 37 GLU- HB3 . . . . . 37 GLU- QG . . rr_1aqa 1 904 2 OR . 1 1 37 37 GLU HB3 H . . . 1 1 37 37 GLU HG3 H . . . . . . . 5.3 . . . . . A . 37 GLU HB3 . . A . 37 GLU HG3 . . . 37 GLU- HB3 . . . . . 37 GLU- QG . . rr_1aqa 1 905 1 . . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . . . 4.3 . . . . . A . 38 GLU H . . A . 37 GLU HB3 . . . 38 GLU- HN . . . . . 37 GLU- HB3 . . rr_1aqa 1 906 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HA H . . . . . . . 4.7 . . . . . A . 38 GLU H . . A . 38 GLU HA . . . 38 GLU- HN . . . . . 38 GLU- HA . . rr_1aqa 1 907 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HB2 H . . . . . . . 4.7 . . . . . A . 38 GLU H . . A . 38 GLU HB2 . . . 38 GLU- HN . . . . . 38 GLU- HB2 . . rr_1aqa 1 908 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HB3 H . . . . . . . 5.2 . . . . . A . 38 GLU H . . A . 38 GLU HB3 . . . 38 GLU- HN . . . . . 38 GLU- HB3 . . rr_1aqa 1 909 1 . . 1 1 38 38 GLU H H . . . 1 1 39 39 HIS H H . . . . . . . 4.2 . . . . . A . 38 GLU H . . A . 39 HIS H . . . 38 GLU- HN . . . . . 39 HIS HN . . rr_1aqa 1 910 1 . . 1 1 38 38 GLU HB2 H . . . 1 1 38 38 GLU HA H . . . . . . . 3.7 . . . . . A . 38 GLU HB2 . . A . 38 GLU HA . . . 38 GLU- HB2 . . . . . 38 GLU- HA . . rr_1aqa 1 911 1 . . 1 1 38 38 GLU HB3 H . . . 1 1 38 38 GLU HA H . . . . . . . 5.4 . . . . . A . 38 GLU HB3 . . A . 38 GLU HA . . . 38 GLU- HB3 . . . . . 38 GLU- HA . . rr_1aqa 1 912 1 . . 1 1 39 39 HIS H H . . . 1 1 38 38 GLU HA H . . . . . . . 4.7 . . . . . A . 39 HIS H . . A . 38 GLU HA . . . 39 HIS HN . . . . . 38 GLU- HA . . rr_1aqa 1 913 1 . . 1 1 39 39 HIS H H . . . 1 1 38 38 GLU HB3 H . . . . . . . 5.0 . . . . . A . 39 HIS H . . A . 38 GLU HB3 . . . 39 HIS HN . . . . . 38 GLU- HB3 . . rr_1aqa 1 914 1 . . 1 1 38 38 GLU HB3 H . . . 1 1 39 39 HIS HA H . . . . . . . 4.8 . . . . . A . 38 GLU HB3 . . A . 39 HIS HA . . . 38 GLU- HB3 . . . . . 39 HIS HA . . rr_1aqa 1 915 1 . . 1 1 39 39 HIS H H . . . 1 1 39 39 HIS HA H . . . . . . . 4.3 . . . . . A . 39 HIS H . . A . 39 HIS HA . . . 39 HIS HN . . . . . 39 HIS HA . . rr_1aqa 1 916 1 . . 1 1 39 39 HIS H H . . . 1 1 39 39 HIS HB2 H . . . . . . . 4.2 . . . . . A . 39 HIS H . . A . 39 HIS HB2 . . . 39 HIS HN . . . . . 39 HIS HB2 . . rr_1aqa 1 917 1 . . 1 1 39 39 HIS H H . . . 1 1 39 39 HIS HB3 H . . . . . . . 3.8 . . . . . A . 39 HIS H . . A . 39 HIS HB3 . . . 39 HIS HN . . . . . 39 HIS HB3 . . rr_1aqa 1 918 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 39 39 HIS HA H . . . . . . . 4.8 . . . . . A . 39 HIS HB2 . . A . 39 HIS HA . . . 39 HIS HB2 . . . . . 39 HIS HA . . rr_1aqa 1 919 1 . . 1 1 39 39 HIS HB3 H . . . 1 1 39 39 HIS HA H . . . . . . . 4.4 . . . . . A . 39 HIS HB3 . . A . 39 HIS HA . . . 39 HIS HB3 . . . . . 39 HIS HA . . rr_1aqa 1 920 1 . . 1 1 39 39 HIS HA H . . . 1 1 40 40 PRO HD2 H . . . . . . . 5.6 . . . . . A . 39 HIS HA . . A . 40 PRO HD2 . . . 39 HIS HA . . . . . 40 PRO HD2 . . rr_1aqa 1 921 1 . . 1 1 39 39 HIS HA H . . . 1 1 40 40 PRO HD3 H . . . . . . . 5.3 . . . . . A . 39 HIS HA . . A . 40 PRO HD3 . . . 39 HIS HA . . . . . 40 PRO HD3 . . rr_1aqa 1 922 1 . . 1 1 39 39 HIS HA H . . . 1 1 42 42 GLY H H . . . . . . . 6.0 . . . . . A . 39 HIS HA . . A . 42 GLY H . . . 39 HIS HA . . . . . 42 GLY HN . . rr_1aqa 1 923 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 39 39 HIS HA H . . . . . . . 7.0 . . . . . A . 46 LEU MD1 . . A . 39 HIS HA . . . 46 LEU QD1 . . . . . 39 HIS HA . . rr_1aqa 1 924 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 40 40 PRO HD3 H . . . . . . . 6.0 . . . . . A . 39 HIS HB2 . . A . 40 PRO HD3 . . . 39 HIS HB2 . . . . . 40 PRO HD3 . . rr_1aqa 1 925 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 41 41 GLY H H . . . . . . . 6.0 . . . . . A . 39 HIS HB2 . . A . 41 GLY H . . . 39 HIS HB2 . . . . . 41 GLY HN . . rr_1aqa 1 926 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 42 42 GLY HA3 H . . . . . . . 6.0 . . . . . A . 39 HIS HB2 . . A . 42 GLY HA3 . . . 39 HIS HB2 . . . . . 42 GLY HA2 . . rr_1aqa 1 927 1 . . 1 1 39 39 HIS HB2 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 6.1 . . . . . A . 39 HIS HB2 . . A . 46 LEU MD1 . . . 39 HIS HB2 . . . . . 46 LEU QD1 . . rr_1aqa 1 928 1 . . 1 1 39 39 HIS HB3 H . . . 1 1 40 40 PRO HD3 H . . . . . . . 6.0 . . . . . A . 39 HIS HB3 . . A . 40 PRO HD3 . . . 39 HIS HB3 . . . . . 40 PRO HD3 . . rr_1aqa 1 929 1 . . 1 1 39 39 HIS HB3 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 5.9 . . . . . A . 39 HIS HB3 . . A . 46 LEU MD1 . . . 39 HIS HB3 . . . . . 46 LEU QD1 . . rr_1aqa 1 930 1 OR . 1 1 40 40 PRO HA H . . . 1 1 40 40 PRO HB2 H . . . . . . . 6.4 . . . . . A . 40 PRO HA . . A . 40 PRO HB2 . . . 40 PRO HA . . . . . 40 PRO QB . . rr_1aqa 1 930 2 OR . 1 1 40 40 PRO HA H . . . 1 1 40 40 PRO HB3 H . . . . . . . 6.4 . . . . . A . 40 PRO HA . . A . 40 PRO HB3 . . . 40 PRO HA . . . . . 40 PRO QB . . rr_1aqa 1 931 1 OR . 1 1 40 40 PRO HA H . . . 1 1 40 40 PRO HG2 H . . . . . . . 5.4 . . . . . A . 40 PRO HA . . A . 40 PRO HG2 . . . 40 PRO HA . . . . . 40 PRO QG . . rr_1aqa 1 931 2 OR . 1 1 40 40 PRO HG3 H . . . 1 1 40 40 PRO HA H . . . . . . . 5.4 . . . . . A . 40 PRO HG3 . . A . 40 PRO HA . . . 40 PRO QG . . . . . 40 PRO HA . . rr_1aqa 1 932 1 . . 1 1 40 40 PRO HA H . . . 1 1 40 40 PRO HD2 H . . . . . . . 4.6 . . . . . A . 40 PRO HA . . A . 40 PRO HD2 . . . 40 PRO HA . . . . . 40 PRO HD2 . . rr_1aqa 1 933 1 . . 1 1 40 40 PRO HA H . . . 1 1 40 40 PRO HD3 H . . . . . . . 4.1 . . . . . A . 40 PRO HA . . A . 40 PRO HD3 . . . 40 PRO HA . . . . . 40 PRO HD3 . . rr_1aqa 1 934 1 . . 1 1 40 40 PRO HA H . . . 1 1 41 41 GLY H H . . . . . . . 5.3 . . . . . A . 40 PRO HA . . A . 41 GLY H . . . 40 PRO HA . . . . . 41 GLY HN . . rr_1aqa 1 935 1 . . 1 1 40 40 PRO HA H . . . 1 1 41 41 GLY HA3 H . . . . . . . 4.9 . . . . . A . 40 PRO HA . . A . 41 GLY HA3 . . . 40 PRO HA . . . . . 41 GLY HA2 . . rr_1aqa 1 936 1 OR . 1 1 40 40 PRO HD2 H . . . 1 1 40 40 PRO HB2 H . . . . . . . 5.4 . . . . . A . 40 PRO HD2 . . A . 40 PRO HB2 . . . 40 PRO HD2 . . . . . 40 PRO QB . . rr_1aqa 1 936 2 OR . 1 1 40 40 PRO HD2 H . . . 1 1 40 40 PRO HB3 H . . . . . . . 5.4 . . . . . A . 40 PRO HD2 . . A . 40 PRO HB3 . . . 40 PRO HD2 . . . . . 40 PRO QB . . rr_1aqa 1 937 1 OR . 1 1 40 40 PRO HD3 H . . . 1 1 40 40 PRO HB2 H . . . . . . . 6.6 . . . . . A . 40 PRO HD3 . . A . 40 PRO HB2 . . . 40 PRO HD3 . . . . . 40 PRO QB . . rr_1aqa 1 937 2 OR . 1 1 40 40 PRO HD3 H . . . 1 1 40 40 PRO HB3 H . . . . . . . 6.6 . . . . . A . 40 PRO HD3 . . A . 40 PRO HB3 . . . 40 PRO HD3 . . . . . 40 PRO QB . . rr_1aqa 1 938 1 OR . 1 1 41 41 GLY HA2 H . . . 1 1 40 40 PRO HB2 H . . . . . . . 6.0 . . . . . A . 41 GLY HA2 . . A . 40 PRO HB2 . . . 41 GLY HA1 . . . . . 40 PRO QB . . rr_1aqa 1 938 2 OR . 1 1 40 40 PRO HB3 H . . . 1 1 41 41 GLY HA2 H . . . . . . . 6.0 . . . . . A . 40 PRO HB3 . . A . 41 GLY HA2 . . . 40 PRO QB . . . . . 41 GLY HA1 . . rr_1aqa 1 939 1 OR . 1 1 40 40 PRO HD2 H . . . 1 1 40 40 PRO HG2 H . . . . . . . 6.8 . . . . . A . 40 PRO HD2 . . A . 40 PRO HG2 . . . 40 PRO HD2 . . . . . 40 PRO QG . . rr_1aqa 1 939 2 OR . 1 1 40 40 PRO HG3 H . . . 1 1 40 40 PRO HD2 H . . . . . . . 6.8 . . . . . A . 40 PRO HG3 . . A . 40 PRO HD2 . . . 40 PRO QG . . . . . 40 PRO HD2 . . rr_1aqa 1 940 1 OR . 1 1 41 41 GLY HA3 H . . . 1 1 40 40 PRO HG2 H . . . . . . . 7.0 . . . . . A . 41 GLY HA3 . . A . 40 PRO HG2 . . . 41 GLY HA2 . . . . . 40 PRO QG . . rr_1aqa 1 940 2 OR . 1 1 40 40 PRO HG3 H . . . 1 1 41 41 GLY HA3 H . . . . . . . 7.0 . . . . . A . 40 PRO HG3 . . A . 41 GLY HA3 . . . 40 PRO QG . . . . . 41 GLY HA2 . . rr_1aqa 1 941 1 . . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY HA2 H . . . . . . . 4.3 . . . . . A . 41 GLY H . . A . 41 GLY HA2 . . . 41 GLY HN . . . . . 41 GLY HA1 . . rr_1aqa 1 942 1 . . 1 1 41 41 GLY H H . . . 1 1 41 41 GLY HA3 H . . . . . . . 3.4 . . . . . A . 41 GLY H . . A . 41 GLY HA3 . . . 41 GLY HN . . . . . 41 GLY HA2 . . rr_1aqa 1 943 1 . . 1 1 41 41 GLY HA2 H . . . 1 1 45 45 VAL MG2 H . . . . . . . 7.0 . . . . . A . 41 GLY HA2 . . A . 45 VAL MG2 . . . 41 GLY HA1 . . . . . 45 VAL QG2 . . rr_1aqa 1 944 1 . . 1 1 41 41 GLY HA3 H . . . 1 1 45 45 VAL HB H . . . . . . . 5.6 . . . . . A . 41 GLY HA3 . . A . 45 VAL HB . . . 41 GLY HA2 . . . . . 45 VAL HB . . rr_1aqa 1 945 1 . . 1 1 41 41 GLY HA3 H . . . 1 1 45 45 VAL MG2 H . . . . . . . 5.3 . . . . . A . 41 GLY HA3 . . A . 45 VAL MG2 . . . 41 GLY HA2 . . . . . 45 VAL QG2 . . rr_1aqa 1 946 1 . . 1 1 42 42 GLY H H . . . 1 1 42 42 GLY HA2 H . . . . . . . 3.4 . . . . . A . 42 GLY H . . A . 42 GLY HA2 . . . 42 GLY HN . . . . . 42 GLY HA1 . . rr_1aqa 1 947 1 . . 1 1 42 42 GLY H H . . . 1 1 42 42 GLY HA3 H . . . . . . . 3.5 . . . . . A . 42 GLY H . . A . 42 GLY HA3 . . . 42 GLY HN . . . . . 42 GLY HA2 . . rr_1aqa 1 948 1 . . 1 1 42 42 GLY H H . . . 1 1 43 43 GLU H H . . . . . . . 4.4 . . . . . A . 42 GLY H . . A . 43 GLU H . . . 42 GLY HN . . . . . 43 GLU- HN . . rr_1aqa 1 949 1 . . 1 1 42 42 GLY HA2 H . . . 1 1 43 43 GLU H H . . . . . . . 4.1 . . . . . A . 42 GLY HA2 . . A . 43 GLU H . . . 42 GLY HA1 . . . . . 43 GLU- HN . . rr_1aqa 1 950 1 OR . 1 1 42 42 GLY HA2 H . . . 1 1 44 44 GLU HB2 H . . . . . . . 7.0 . . . . . A . 42 GLY HA2 . . A . 44 GLU HB2 . . . 42 GLY HA1 . . . . . 44 GLU- QB . . rr_1aqa 1 950 2 OR . 1 1 42 42 GLY HA2 H . . . 1 1 44 44 GLU HB3 H . . . . . . . 7.0 . . . . . A . 42 GLY HA2 . . A . 44 GLU HB3 . . . 42 GLY HA1 . . . . . 44 GLU- QB . . rr_1aqa 1 951 1 . . 1 1 42 42 GLY HA3 H . . . 1 1 43 43 GLU H H . . . . . . . 3.9 . . . . . A . 42 GLY HA3 . . A . 43 GLU H . . . 42 GLY HA2 . . . . . 43 GLU- HN . . rr_1aqa 1 952 1 . . 1 1 42 42 GLY HA3 H . . . 1 1 43 43 GLU HB2 H . . . . . . . 5.6 . . . . . A . 42 GLY HA3 . . A . 43 GLU HB2 . . . 42 GLY HA2 . . . . . 43 GLU- HB2 . . rr_1aqa 1 953 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU H H . . . . . . . 4.1 . . . . . A . 43 GLU HA . . A . 43 GLU H . . . 43 GLU- HA . . . . . 43 GLU- HN . . rr_1aqa 1 954 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB2 H . . . . . . . 4.0 . . . . . A . 43 GLU H . . A . 43 GLU HB2 . . . 43 GLU- HN . . . . . 43 GLU- HB2 . . rr_1aqa 1 955 1 . . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HB3 H . . . . . . . 4.0 . . . . . A . 43 GLU H . . A . 43 GLU HB3 . . . 43 GLU- HN . . . . . 43 GLU- HB3 . . rr_1aqa 1 956 1 OR . 1 1 43 43 GLU H H . . . 1 1 43 43 GLU HG2 H . . . . . . . 6.5 . . . . . A . 43 GLU H . . A . 43 GLU HG2 . . . 43 GLU- HN . . . . . 43 GLU- QG . . rr_1aqa 1 956 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 43 43 GLU H H . . . . . . . 6.5 . . . . . A . 43 GLU HG3 . . A . 43 GLU H . . . 43 GLU- QG . . . . . 43 GLU- HN . . rr_1aqa 1 957 1 . . 1 1 43 43 GLU H H . . . 1 1 45 45 VAL H H . . . . . . . 6.0 . . . . . A . 43 GLU H . . A . 45 VAL H . . . 43 GLU- HN . . . . . 45 VAL HN . . rr_1aqa 1 958 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HB2 H . . . . . . . 3.7 . . . . . A . 43 GLU HA . . A . 43 GLU HB2 . . . 43 GLU- HA . . . . . 43 GLU- HB2 . . rr_1aqa 1 959 1 . . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HB3 H . . . . . . . 4.0 . . . . . A . 43 GLU HA . . A . 43 GLU HB3 . . . 43 GLU- HA . . . . . 43 GLU- HB3 . . rr_1aqa 1 960 1 OR . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HG2 H . . . . . . . 6.2 . . . . . A . 43 GLU HA . . A . 43 GLU HG2 . . . 43 GLU- HA . . . . . 43 GLU- QG . . rr_1aqa 1 960 2 OR . 1 1 43 43 GLU HA H . . . 1 1 43 43 GLU HG3 H . . . . . . . 6.2 . . . . . A . 43 GLU HA . . A . 43 GLU HG3 . . . 43 GLU- HA . . . . . 43 GLU- QG . . rr_1aqa 1 961 1 . . 1 1 43 43 GLU HA H . . . 1 1 44 44 GLU H H . . . . . . . 4.9 . . . . . A . 43 GLU HA . . A . 44 GLU H . . . 43 GLU- HA . . . . . 44 GLU- HN . . rr_1aqa 1 962 1 . . 1 1 43 43 GLU HA H . . . 1 1 44 44 GLU HA H . . . . . . . 5.2 . . . . . A . 43 GLU HA . . A . 44 GLU HA . . . 43 GLU- HA . . . . . 44 GLU- HA . . rr_1aqa 1 963 1 . . 1 1 43 43 GLU HA H . . . 1 1 46 46 LEU HB2 H . . . . . . . 5.1 . . . . . A . 43 GLU HA . . A . 46 LEU HB2 . . . 43 GLU- HA . . . . . 46 LEU HB2 . . rr_1aqa 1 964 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 43 43 GLU HA H . . . . . . . 5.6 . . . . . A . 46 LEU HB3 . . A . 43 GLU HA . . . 46 LEU HB3 . . . . . 43 GLU- HA . . rr_1aqa 1 965 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 43 43 GLU HA H . . . . . . . 6.2 . . . . . A . 46 LEU MD1 . . A . 43 GLU HA . . . 46 LEU QD1 . . . . . 43 GLU- HA . . rr_1aqa 1 966 1 . . 1 1 43 43 GLU HA H . . . 1 1 47 47 ARG H H . . . . . . . 6.0 . . . . . A . 43 GLU HA . . A . 47 ARG H . . . 43 GLU- HA . . . . . 47 ARG+ HN . . rr_1aqa 1 967 1 OR . 1 1 43 43 GLU HB2 H . . . 1 1 43 43 GLU HG2 H . . . . . . . 5.7 . . . . . A . 43 GLU HB2 . . A . 43 GLU HG2 . . . 43 GLU- HB2 . . . . . 43 GLU- QG . . rr_1aqa 1 967 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 43 43 GLU HB2 H . . . . . . . 5.7 . . . . . A . 43 GLU HG3 . . A . 43 GLU HB2 . . . 43 GLU- QG . . . . . 43 GLU- HB2 . . rr_1aqa 1 968 1 . . 1 1 43 43 GLU HB2 H . . . 1 1 44 44 GLU H H . . . . . . . 5.0 . . . . . A . 43 GLU HB2 . . A . 44 GLU H . . . 43 GLU- HB2 . . . . . 44 GLU- HN . . rr_1aqa 1 969 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 43 43 GLU HB2 H . . . . . . . 7.0 . . . . . A . 46 LEU MD1 . . A . 43 GLU HB2 . . . 46 LEU QD1 . . . . . 43 GLU- HB2 . . rr_1aqa 1 970 1 . . 1 1 43 43 GLU HB2 H . . . 1 1 47 47 ARG HA H . . . . . . . 4.5 . . . . . A . 43 GLU HB2 . . A . 47 ARG HA . . . 43 GLU- HB2 . . . . . 47 ARG+ HA . . rr_1aqa 1 971 1 OR . 1 1 43 43 GLU HB3 H . . . 1 1 43 43 GLU HG2 H . . . . . . . 4.7 . . . . . A . 43 GLU HB3 . . A . 43 GLU HG2 . . . 43 GLU- HB3 . . . . . 43 GLU- QG . . rr_1aqa 1 971 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 43 43 GLU HB3 H . . . . . . . 4.7 . . . . . A . 43 GLU HG3 . . A . 43 GLU HB3 . . . 43 GLU- QG . . . . . 43 GLU- HB3 . . rr_1aqa 1 972 1 . . 1 1 43 43 GLU HB3 H . . . 1 1 44 44 GLU H H . . . . . . . 5.4 . . . . . A . 43 GLU HB3 . . A . 44 GLU H . . . 43 GLU- HB3 . . . . . 44 GLU- HN . . rr_1aqa 1 973 1 OR . 1 1 44 44 GLU H H . . . 1 1 43 43 GLU HG2 H . . . . . . . 7.0 . . . . . A . 44 GLU H . . A . 43 GLU HG2 . . . 44 GLU- HN . . . . . 43 GLU- QG . . rr_1aqa 1 973 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 44 44 GLU H H . . . . . . . 7.0 . . . . . A . 43 GLU HG3 . . A . 44 GLU H . . . 43 GLU- QG . . . . . 44 GLU- HN . . rr_1aqa 1 974 1 OR . 1 1 44 44 GLU HA H . . . 1 1 43 43 GLU HG2 H . . . . . . . 6.8 . . . . . A . 44 GLU HA . . A . 43 GLU HG2 . . . 44 GLU- HA . . . . . 43 GLU- QG . . rr_1aqa 1 974 2 OR . 1 1 43 43 GLU HG3 H . . . 1 1 44 44 GLU HA H . . . . . . . 6.8 . . . . . A . 43 GLU HG3 . . A . 44 GLU HA . . . 43 GLU- QG . . . . . 44 GLU- HA . . rr_1aqa 1 975 1 OR . 1 1 46 46 LEU MD1 H . . . 1 1 43 43 GLU HG2 H . . . . . . . 8.0 . . . . . A . 46 LEU MD1 . . A . 43 GLU HG2 . . . 46 LEU QD1 . . . . . 43 GLU- QG . . rr_1aqa 1 975 2 OR . 1 1 46 46 LEU MD1 H . . . 1 1 43 43 GLU HG3 H . . . . . . . 8.0 . . . . . A . 46 LEU MD1 . . A . 43 GLU HG3 . . . 46 LEU QD1 . . . . . 43 GLU- QG . . rr_1aqa 1 976 1 . . 1 1 44 44 GLU H H . . . 1 1 44 44 GLU HA H . . . . . . . 3.8 . . . . . A . 44 GLU H . . A . 44 GLU HA . . . 44 GLU- HN . . . . . 44 GLU- HA . . rr_1aqa 1 977 1 OR . 1 1 44 44 GLU H H . . . 1 1 44 44 GLU HB2 H . . . . . . . 4.1 . . . . . A . 44 GLU H . . A . 44 GLU HB2 . . . 44 GLU- HN . . . . . 44 GLU- QB . . rr_1aqa 1 977 2 OR . 1 1 44 44 GLU HB3 H . . . 1 1 44 44 GLU H H . . . . . . . 4.1 . . . . . A . 44 GLU HB3 . . A . 44 GLU H . . . 44 GLU- QB . . . . . 44 GLU- HN . . rr_1aqa 1 978 1 OR . 1 1 44 44 GLU H H . . . 1 1 44 44 GLU HG2 H . . . . . . . 6.7 . . . . . A . 44 GLU H . . A . 44 GLU HG2 . . . 44 GLU- HN . . . . . 44 GLU- QG . . rr_1aqa 1 978 2 OR . 1 1 44 44 GLU H H . . . 1 1 44 44 GLU HG3 H . . . . . . . 6.7 . . . . . A . 44 GLU H . . A . 44 GLU HG3 . . . 44 GLU- HN . . . . . 44 GLU- QG . . rr_1aqa 1 979 1 . . 1 1 45 45 VAL H H . . . 1 1 44 44 GLU H H . . . . . . . 4.3 . . . . . A . 45 VAL H . . A . 44 GLU H . . . 45 VAL HN . . . . . 44 GLU- HN . . rr_1aqa 1 980 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 44 44 GLU H H . . . . . . . 7.0 . . . . . A . 45 VAL MG2 . . A . 44 GLU H . . . 45 VAL QG2 . . . . . 44 GLU- HN . . rr_1aqa 1 981 1 . . 1 1 46 46 LEU H H . . . 1 1 44 44 GLU H H . . . . . . . 5.4 . . . . . A . 46 LEU H . . A . 44 GLU H . . . 46 LEU HN . . . . . 44 GLU- HN . . rr_1aqa 1 982 1 . . 1 1 47 47 ARG H H . . . 1 1 44 44 GLU H H . . . . . . . 6.0 . . . . . A . 47 ARG H . . A . 44 GLU H . . . 47 ARG+ HN . . . . . 44 GLU- HN . . rr_1aqa 1 983 1 OR . 1 1 44 44 GLU HA H . . . 1 1 44 44 GLU HB2 H . . . . . . . 4.7 . . . . . A . 44 GLU HA . . A . 44 GLU HB2 . . . 44 GLU- HA . . . . . 44 GLU- QB . . rr_1aqa 1 983 2 OR . 1 1 44 44 GLU HB3 H . . . 1 1 44 44 GLU HA H . . . . . . . 4.7 . . . . . A . 44 GLU HB3 . . A . 44 GLU HA . . . 44 GLU- QB . . . . . 44 GLU- HA . . rr_1aqa 1 984 1 OR . 1 1 44 44 GLU HA H . . . 1 1 44 44 GLU HG2 H . . . . . . . 5.8 . . . . . A . 44 GLU HA . . A . 44 GLU HG2 . . . 44 GLU- HA . . . . . 44 GLU- QG . . rr_1aqa 1 984 2 OR . 1 1 44 44 GLU HA H . . . 1 1 44 44 GLU HG3 H . . . . . . . 5.8 . . . . . A . 44 GLU HA . . A . 44 GLU HG3 . . . 44 GLU- HA . . . . . 44 GLU- QG . . rr_1aqa 1 985 1 . . 1 1 45 45 VAL H H . . . 1 1 44 44 GLU HA H . . . . . . . 4.6 . . . . . A . 45 VAL H . . A . 44 GLU HA . . . 45 VAL HN . . . . . 44 GLU- HA . . rr_1aqa 1 986 1 . . 1 1 46 46 LEU H H . . . 1 1 44 44 GLU HA H . . . . . . . 5.8 . . . . . A . 46 LEU H . . A . 44 GLU HA . . . 46 LEU HN . . . . . 44 GLU- HA . . rr_1aqa 1 987 1 . . 1 1 47 47 ARG H H . . . 1 1 44 44 GLU HA H . . . . . . . 4.9 . . . . . A . 47 ARG H . . A . 44 GLU HA . . . 47 ARG+ HN . . . . . 44 GLU- HA . . rr_1aqa 1 988 1 OR . 1 1 44 44 GLU HA H . . . 1 1 47 47 ARG HB2 H . . . . . . . 5.2 . . . . . A . 44 GLU HA . . A . 47 ARG HB2 . . . 44 GLU- HA . . . . . 47 ARG+ QB . . rr_1aqa 1 988 2 OR . 1 1 44 44 GLU HA H . . . 1 1 47 47 ARG HB3 H . . . . . . . 5.2 . . . . . A . 44 GLU HA . . A . 47 ARG HB3 . . . 44 GLU- HA . . . . . 47 ARG+ QB . . rr_1aqa 1 989 1 . . 1 1 44 44 GLU HA H . . . 1 1 48 48 GLU H H . . . . . . . 5.1 . . . . . A . 44 GLU HA . . A . 48 GLU H . . . 44 GLU- HA . . . . . 48 GLU- HN . . rr_1aqa 1 990 1 . . 1 1 44 44 GLU HA H . . . 1 1 48 48 GLU HB3 H . . . . . . . 4.3 . . . . . A . 44 GLU HA . . A . 48 GLU HB3 . . . 44 GLU- HA . . . . . 48 GLU- HB3 . . rr_1aqa 1 991 1 OR . 1 1 44 44 GLU HA H . . . 1 1 48 48 GLU HG2 H . . . . . . . 7.0 . . . . . A . 44 GLU HA . . A . 48 GLU HG2 . . . 44 GLU- HA . . . . . 48 GLU- QG . . rr_1aqa 1 991 2 OR . 1 1 44 44 GLU HA H . . . 1 1 48 48 GLU HG3 H . . . . . . . 7.0 . . . . . A . 44 GLU HA . . A . 48 GLU HG3 . . . 44 GLU- HA . . . . . 48 GLU- QG . . rr_1aqa 1 992 1 OR . 1 1 44 44 GLU HB3 H . . . 1 1 44 44 GLU HG2 H . . . . . . . 7.0 . . . . . A . 44 GLU HB3 . . A . 44 GLU HG2 . . . 44 GLU- QB . . . . . 44 GLU- QG . . rr_1aqa 1 992 2 OR . 1 1 44 44 GLU HB2 H . . . 1 1 44 44 GLU HG2 H . . . . . . . 7.0 . . . . . A . 44 GLU HB2 . . A . 44 GLU HG2 . . . 44 GLU- QB . . . . . 44 GLU- QG . . rr_1aqa 1 992 3 OR . 1 1 44 44 GLU HG3 H . . . 1 1 44 44 GLU HB2 H . . . . . . . 7.0 . . . . . A . 44 GLU HG3 . . A . 44 GLU HB2 . . . 44 GLU- QG . . . . . 44 GLU- QB . . rr_1aqa 1 992 4 OR . 1 1 44 44 GLU HB3 H . . . 1 1 44 44 GLU HG3 H . . . . . . . 7.0 . . . . . A . 44 GLU HB3 . . A . 44 GLU HG3 . . . 44 GLU- QB . . . . . 44 GLU- QG . . rr_1aqa 1 993 1 OR . 1 1 45 45 VAL H H . . . 1 1 44 44 GLU HB2 H . . . . . . . 5.0 . . . . . A . 45 VAL H . . A . 44 GLU HB2 . . . 45 VAL HN . . . . . 44 GLU- QB . . rr_1aqa 1 993 2 OR . 1 1 44 44 GLU HB3 H . . . 1 1 45 45 VAL H H . . . . . . . 5.0 . . . . . A . 44 GLU HB3 . . A . 45 VAL H . . . 44 GLU- QB . . . . . 45 VAL HN . . rr_1aqa 1 994 1 OR . 1 1 45 45 VAL HA H . . . 1 1 44 44 GLU HB2 H . . . . . . . 7.0 . . . . . A . 45 VAL HA . . A . 44 GLU HB2 . . . 45 VAL HA . . . . . 44 GLU- QB . . rr_1aqa 1 994 2 OR . 1 1 44 44 GLU HB3 H . . . 1 1 45 45 VAL HA H . . . . . . . 7.0 . . . . . A . 44 GLU HB3 . . A . 45 VAL HA . . . 44 GLU- QB . . . . . 45 VAL HA . . rr_1aqa 1 995 1 OR . 1 1 44 44 GLU HB3 H . . . 1 1 47 47 ARG HB2 H . . . . . . . 8.0 . . . . . A . 44 GLU HB3 . . A . 47 ARG HB2 . . . 44 GLU- QB . . . . . 47 ARG+ QB . . rr_1aqa 1 995 2 OR . 1 1 47 47 ARG HB3 H . . . 1 1 44 44 GLU HB2 H . . . . . . . 8.0 . . . . . A . 47 ARG HB3 . . A . 44 GLU HB2 . . . 47 ARG+ QB . . . . . 44 GLU- QB . . rr_1aqa 1 995 3 OR . 1 1 44 44 GLU HB3 H . . . 1 1 47 47 ARG HB3 H . . . . . . . 8.0 . . . . . A . 44 GLU HB3 . . A . 47 ARG HB3 . . . 44 GLU- QB . . . . . 47 ARG+ QB . . rr_1aqa 1 995 4 OR . 1 1 44 44 GLU HB2 H . . . 1 1 47 47 ARG HB2 H . . . . . . . 8.0 . . . . . A . 44 GLU HB2 . . A . 47 ARG HB2 . . . 44 GLU- QB . . . . . 47 ARG+ QB . . rr_1aqa 1 996 1 OR . 1 1 45 45 VAL H H . . . 1 1 44 44 GLU HG2 H . . . . . . . 7.0 . . . . . A . 45 VAL H . . A . 44 GLU HG2 . . . 45 VAL HN . . . . . 44 GLU- QG . . rr_1aqa 1 996 2 OR . 1 1 45 45 VAL H H . . . 1 1 44 44 GLU HG3 H . . . . . . . 7.0 . . . . . A . 45 VAL H . . A . 44 GLU HG3 . . . 45 VAL HN . . . . . 44 GLU- QG . . rr_1aqa 1 997 1 . . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL HA H . . . . . . . 3.7 . . . . . A . 45 VAL H . . A . 45 VAL HA . . . 45 VAL HN . . . . . 45 VAL HA . . rr_1aqa 1 998 1 . . 1 1 45 45 VAL HB H . . . 1 1 45 45 VAL H H . . . . . . . 3.9 . . . . . A . 45 VAL HB . . A . 45 VAL H . . . 45 VAL HB . . . . . 45 VAL HN . . rr_1aqa 1 999 1 . . 1 1 45 45 VAL H H . . . 1 1 45 45 VAL MG1 H . . . . . . . 4.0 . . . . . A . 45 VAL H . . A . 45 VAL MG1 . . . 45 VAL HN . . . . . 45 VAL QG1 . . rr_1aqa 1 1000 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 45 45 VAL H H . . . . . . . 4.0 . . . . . A . 45 VAL MG2 . . A . 45 VAL H . . . 45 VAL QG2 . . . . . 45 VAL HN . . rr_1aqa 1 1001 1 . . 1 1 46 46 LEU H H . . . 1 1 45 45 VAL H H . . . . . . . 3.7 . . . . . A . 46 LEU H . . A . 45 VAL H . . . 46 LEU HN . . . . . 45 VAL HN . . rr_1aqa 1 1002 1 . . 1 1 47 47 ARG H H . . . 1 1 45 45 VAL H H . . . . . . . 5.5 . . . . . A . 47 ARG H . . A . 45 VAL H . . . 47 ARG+ HN . . . . . 45 VAL HN . . rr_1aqa 1 1003 1 . . 1 1 45 45 VAL HB H . . . 1 1 45 45 VAL HA H . . . . . . . 3.2 . . . . . A . 45 VAL HB . . A . 45 VAL HA . . . 45 VAL HB . . . . . 45 VAL HA . . rr_1aqa 1 1004 1 . . 1 1 45 45 VAL HA H . . . 1 1 45 45 VAL MG1 H . . . . . . . 3.8 . . . . . A . 45 VAL HA . . A . 45 VAL MG1 . . . 45 VAL HA . . . . . 45 VAL QG1 . . rr_1aqa 1 1005 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 45 45 VAL HA H . . . . . . . 4.1 . . . . . A . 45 VAL MG2 . . A . 45 VAL HA . . . 45 VAL QG2 . . . . . 45 VAL HA . . rr_1aqa 1 1006 1 . . 1 1 46 46 LEU H H . . . 1 1 45 45 VAL HA H . . . . . . . 5.2 . . . . . A . 46 LEU H . . A . 45 VAL HA . . . 46 LEU HN . . . . . 45 VAL HA . . rr_1aqa 1 1007 1 . . 1 1 46 46 LEU HA H . . . 1 1 45 45 VAL HA H . . . . . . . 6.0 . . . . . A . 46 LEU HA . . A . 45 VAL HA . . . 46 LEU HA . . . . . 45 VAL HA . . rr_1aqa 1 1008 1 . . 1 1 47 47 ARG H H . . . 1 1 45 45 VAL HA H . . . . . . . 6.0 . . . . . A . 47 ARG H . . A . 45 VAL HA . . . 47 ARG+ HN . . . . . 45 VAL HA . . rr_1aqa 1 1009 1 . . 1 1 45 45 VAL HB H . . . 1 1 45 45 VAL MG1 H . . . . . . . 3.5 . . . . . A . 45 VAL HB . . A . 45 VAL MG1 . . . 45 VAL HB . . . . . 45 VAL QG1 . . rr_1aqa 1 1010 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 45 45 VAL HB H . . . . . . . 3.7 . . . . . A . 45 VAL MG2 . . A . 45 VAL HB . . . 45 VAL QG2 . . . . . 45 VAL HB . . rr_1aqa 1 1011 1 . . 1 1 46 46 LEU H H . . . 1 1 45 45 VAL HB H . . . . . . . 4.2 . . . . . A . 46 LEU H . . A . 45 VAL HB . . . 46 LEU HN . . . . . 45 VAL HB . . rr_1aqa 1 1012 1 . . 1 1 45 45 VAL MG1 H . . . 1 1 46 46 LEU HG H . . . . . . . 6.1 . . . . . A . 45 VAL MG1 . . A . 46 LEU HG . . . 45 VAL QG1 . . . . . 46 LEU HG . . rr_1aqa 1 1013 1 OR . 1 1 45 45 VAL MG1 H . . . 1 1 48 48 GLU HG2 H . . . . . . . 6.3 . . . . . A . 45 VAL MG1 . . A . 48 GLU HG2 . . . 45 VAL QG1 . . . . . 48 GLU- QG . . rr_1aqa 1 1013 2 OR . 1 1 48 48 GLU HG3 H . . . 1 1 45 45 VAL MG1 H . . . . . . . 6.3 . . . . . A . 48 GLU HG3 . . A . 45 VAL MG1 . . . 48 GLU- QG . . . . . 45 VAL QG1 . . rr_1aqa 1 1014 1 . . 1 1 46 46 LEU H H . . . 1 1 45 45 VAL MG2 H . . . . . . . 5.4 . . . . . A . 46 LEU H . . A . 45 VAL MG2 . . . 46 LEU HN . . . . . 45 VAL QG2 . . rr_1aqa 1 1015 1 . . 1 1 46 46 LEU HA H . . . 1 1 45 45 VAL MG2 H . . . . . . . 7.0 . . . . . A . 46 LEU HA . . A . 45 VAL MG2 . . . 46 LEU HA . . . . . 45 VAL QG2 . . rr_1aqa 1 1016 1 . . 1 1 45 45 VAL MG2 H . . . 1 1 46 46 LEU HG H . . . . . . . 5.7 . . . . . A . 45 VAL MG2 . . A . 46 LEU HG . . . 45 VAL QG2 . . . . . 46 LEU HG . . rr_1aqa 1 1017 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 45 45 VAL MG2 H . . . . . . . 5.6 . . . . . A . 46 LEU MD1 . . A . 45 VAL MG2 . . . 46 LEU QD1 . . . . . 45 VAL QG2 . . rr_1aqa 1 1018 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 45 45 VAL MG2 H . . . . . . . 4.8 . . . . . A . 46 LEU MD2 . . A . 45 VAL MG2 . . . 46 LEU QD2 . . . . . 45 VAL QG2 . . rr_1aqa 1 1019 1 . . 1 1 46 46 LEU H H . . . 1 1 46 46 LEU HA H . . . . . . . 4.2 . . . . . A . 46 LEU H . . A . 46 LEU HA . . . 46 LEU HN . . . . . 46 LEU HA . . rr_1aqa 1 1020 1 . . 1 1 46 46 LEU H H . . . 1 1 46 46 LEU HB2 H . . . . . . . 3.7 . . . . . A . 46 LEU H . . A . 46 LEU HB2 . . . 46 LEU HN . . . . . 46 LEU HB2 . . rr_1aqa 1 1021 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 46 46 LEU H H . . . . . . . 3.9 . . . . . A . 46 LEU HB3 . . A . 46 LEU H . . . 46 LEU HB3 . . . . . 46 LEU HN . . rr_1aqa 1 1022 1 . . 1 1 46 46 LEU H H . . . 1 1 46 46 LEU HG H . . . . . . . 4.0 . . . . . A . 46 LEU H . . A . 46 LEU HG . . . 46 LEU HN . . . . . 46 LEU HG . . rr_1aqa 1 1023 1 . . 1 1 46 46 LEU H H . . . 1 1 46 46 LEU MD1 H . . . . . . . 4.9 . . . . . A . 46 LEU H . . A . 46 LEU MD1 . . . 46 LEU HN . . . . . 46 LEU QD1 . . rr_1aqa 1 1024 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 46 46 LEU H H . . . . . . . 4.7 . . . . . A . 46 LEU MD2 . . A . 46 LEU H . . . 46 LEU QD2 . . . . . 46 LEU HN . . rr_1aqa 1 1025 1 . . 1 1 46 46 LEU H H . . . 1 1 47 47 ARG H H . . . . . . . 3.6 . . . . . A . 46 LEU H . . A . 47 ARG H . . . 46 LEU HN . . . . . 47 ARG+ HN . . rr_1aqa 1 1026 1 . . 1 1 46 46 LEU H H . . . 1 1 48 48 GLU H H . . . . . . . 5.3 . . . . . A . 46 LEU H . . A . 48 GLU H . . . 46 LEU HN . . . . . 48 GLU- HN . . rr_1aqa 1 1027 1 . . 1 1 46 46 LEU HB2 H . . . 1 1 46 46 LEU HA H . . . . . . . 4.0 . . . . . A . 46 LEU HB2 . . A . 46 LEU HA . . . 46 LEU HB2 . . . . . 46 LEU HA . . rr_1aqa 1 1028 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 46 46 LEU HA H . . . . . . . 3.6 . . . . . A . 46 LEU HB3 . . A . 46 LEU HA . . . 46 LEU HB3 . . . . . 46 LEU HA . . rr_1aqa 1 1029 1 . . 1 1 46 46 LEU HA H . . . 1 1 46 46 LEU HG H . . . . . . . 5.6 . . . . . A . 46 LEU HA . . A . 46 LEU HG . . . 46 LEU HA . . . . . 46 LEU HG . . rr_1aqa 1 1030 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 46 46 LEU HA H . . . . . . . 5.1 . . . . . A . 46 LEU MD1 . . A . 46 LEU HA . . . 46 LEU QD1 . . . . . 46 LEU HA . . rr_1aqa 1 1031 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 46 46 LEU HA H . . . . . . . 3.7 . . . . . A . 46 LEU MD2 . . A . 46 LEU HA . . . 46 LEU QD2 . . . . . 46 LEU HA . . rr_1aqa 1 1032 1 . . 1 1 46 46 LEU HA H . . . 1 1 47 47 ARG H H . . . . . . . 5.1 . . . . . A . 46 LEU HA . . A . 47 ARG H . . . 46 LEU HA . . . . . 47 ARG+ HN . . rr_1aqa 1 1033 1 . . 1 1 46 46 LEU HA H . . . 1 1 47 47 ARG HA H . . . . . . . 4.7 . . . . . A . 46 LEU HA . . A . 47 ARG HA . . . 46 LEU HA . . . . . 47 ARG+ HA . . rr_1aqa 1 1034 1 . . 1 1 46 46 LEU HA H . . . 1 1 49 49 GLN H H . . . . . . . 5.1 . . . . . A . 46 LEU HA . . A . 49 GLN H . . . 46 LEU HA . . . . . 49 GLN HN . . rr_1aqa 1 1035 1 OR . 1 1 46 46 LEU HA H . . . 1 1 49 49 GLN HB2 H . . . . . . . 6.7 . . . . . A . 46 LEU HA . . A . 49 GLN HB2 . . . 46 LEU HA . . . . . 49 GLN QB . . rr_1aqa 1 1035 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 46 46 LEU HA H . . . . . . . 6.7 . . . . . A . 49 GLN HB3 . . A . 46 LEU HA . . . 49 GLN QB . . . . . 46 LEU HA . . rr_1aqa 1 1036 1 . . 1 1 46 46 LEU HA H . . . 1 1 50 50 ALA H H . . . . . . . 6.0 . . . . . A . 46 LEU HA . . A . 50 ALA H . . . 46 LEU HA . . . . . 50 ALA HN . . rr_1aqa 1 1037 1 . . 1 1 46 46 LEU HB2 H . . . 1 1 46 46 LEU HG H . . . . . . . 4.1 . . . . . A . 46 LEU HB2 . . A . 46 LEU HG . . . 46 LEU HB2 . . . . . 46 LEU HG . . rr_1aqa 1 1038 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 46 46 LEU HB2 H . . . . . . . 4.1 . . . . . A . 46 LEU MD1 . . A . 46 LEU HB2 . . . 46 LEU QD1 . . . . . 46 LEU HB2 . . rr_1aqa 1 1039 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 46 46 LEU HB2 H . . . . . . . 4.4 . . . . . A . 46 LEU MD2 . . A . 46 LEU HB2 . . . 46 LEU QD2 . . . . . 46 LEU HB2 . . rr_1aqa 1 1040 1 OR . 1 1 46 46 LEU HB2 H . . . 1 1 49 49 GLN HB2 H . . . . . . . 7.0 . . . . . A . 46 LEU HB2 . . A . 49 GLN HB2 . . . 46 LEU HB2 . . . . . 49 GLN QB . . rr_1aqa 1 1040 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 46 46 LEU HB2 H . . . . . . . 7.0 . . . . . A . 49 GLN HB3 . . A . 46 LEU HB2 . . . 49 GLN QB . . . . . 46 LEU HB2 . . rr_1aqa 1 1041 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 46 46 LEU HG H . . . . . . . 4.2 . . . . . A . 46 LEU HB3 . . A . 46 LEU HG . . . 46 LEU HB3 . . . . . 46 LEU HG . . rr_1aqa 1 1042 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 46 46 LEU MD1 H . . . . . . . 4.0 . . . . . A . 46 LEU HB3 . . A . 46 LEU MD1 . . . 46 LEU HB3 . . . . . 46 LEU QD1 . . rr_1aqa 1 1043 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 46 46 LEU MD2 H . . . . . . . 4.3 . . . . . A . 46 LEU HB3 . . A . 46 LEU MD2 . . . 46 LEU HB3 . . . . . 46 LEU QD2 . . rr_1aqa 1 1044 1 . . 1 1 46 46 LEU HB3 H . . . 1 1 47 47 ARG H H . . . . . . . 4.7 . . . . . A . 46 LEU HB3 . . A . 47 ARG H . . . 46 LEU HB3 . . . . . 47 ARG+ HN . . rr_1aqa 1 1045 1 . . 1 1 46 46 LEU MD1 H . . . 1 1 46 46 LEU HG H . . . . . . . 3.7 . . . . . A . 46 LEU MD1 . . A . 46 LEU HG . . . 46 LEU QD1 . . . . . 46 LEU HG . . rr_1aqa 1 1046 1 . . 1 1 46 46 LEU MD2 H . . . 1 1 46 46 LEU HG H . . . . . . . 3.7 . . . . . A . 46 LEU MD2 . . A . 46 LEU HG . . . 46 LEU QD2 . . . . . 46 LEU HG . . rr_1aqa 1 1047 1 OR . 1 1 46 46 LEU MD1 H . . . 1 1 47 47 ARG HB2 H . . . . . . . 8.0 . . . . . A . 46 LEU MD1 . . A . 47 ARG HB2 . . . 46 LEU QD1 . . . . . 47 ARG+ QB . . rr_1aqa 1 1047 2 OR . 1 1 46 46 LEU MD1 H . . . 1 1 47 47 ARG HB3 H . . . . . . . 8.0 . . . . . A . 46 LEU MD1 . . A . 47 ARG HB3 . . . 46 LEU QD1 . . . . . 47 ARG+ QB . . rr_1aqa 1 1048 1 . . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HA H . . . . . . . 4.0 . . . . . A . 47 ARG H . . A . 47 ARG HA . . . 47 ARG+ HN . . . . . 47 ARG+ HA . . rr_1aqa 1 1049 1 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HB2 H . . . . . . . 4.3 . . . . . A . 47 ARG H . . A . 47 ARG HB2 . . . 47 ARG+ HN . . . . . 47 ARG+ QB . . rr_1aqa 1 1049 2 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HB3 H . . . . . . . 4.3 . . . . . A . 47 ARG H . . A . 47 ARG HB3 . . . 47 ARG+ HN . . . . . 47 ARG+ QB . . rr_1aqa 1 1050 1 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HG2 H . . . . . . . 5.7 . . . . . A . 47 ARG H . . A . 47 ARG HG2 . . . 47 ARG+ HN . . . . . 47 ARG+ QG . . rr_1aqa 1 1050 2 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HG3 H . . . . . . . 5.7 . . . . . A . 47 ARG H . . A . 47 ARG HG3 . . . 47 ARG+ HN . . . . . 47 ARG+ QG . . rr_1aqa 1 1051 1 . . 1 1 47 47 ARG H H . . . 1 1 48 48 GLU H H . . . . . . . 3.6 . . . . . A . 47 ARG H . . A . 48 GLU H . . . 47 ARG+ HN . . . . . 48 GLU- HN . . rr_1aqa 1 1052 1 . . 1 1 47 47 ARG H H . . . 1 1 49 49 GLN H H . . . . . . . 5.8 . . . . . A . 47 ARG H . . A . 49 GLN H . . . 47 ARG+ HN . . . . . 49 GLN HN . . rr_1aqa 1 1053 1 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HB2 H . . . . . . . 4.0 . . . . . A . 47 ARG HA . . A . 47 ARG HB2 . . . 47 ARG+ HA . . . . . 47 ARG+ QB . . rr_1aqa 1 1053 2 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HB3 H . . . . . . . 4.0 . . . . . A . 47 ARG HA . . A . 47 ARG HB3 . . . 47 ARG+ HA . . . . . 47 ARG+ QB . . rr_1aqa 1 1054 1 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HG2 H . . . . . . . 5.0 . . . . . A . 47 ARG HA . . A . 47 ARG HG2 . . . 47 ARG+ HA . . . . . 47 ARG+ QG . . rr_1aqa 1 1054 2 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HG3 H . . . . . . . 5.0 . . . . . A . 47 ARG HA . . A . 47 ARG HG3 . . . 47 ARG+ HA . . . . . 47 ARG+ QG . . rr_1aqa 1 1055 1 . . 1 1 47 47 ARG HA H . . . 1 1 48 48 GLU H H . . . . . . . 5.1 . . . . . A . 47 ARG HA . . A . 48 GLU H . . . 47 ARG+ HA . . . . . 48 GLU- HN . . rr_1aqa 1 1056 1 . . 1 1 47 47 ARG HA H . . . 1 1 49 49 GLN H H . . . . . . . 6.0 . . . . . A . 47 ARG HA . . A . 49 GLN H . . . 47 ARG+ HA . . . . . 49 GLN HN . . rr_1aqa 1 1057 1 . . 1 1 47 47 ARG HA H . . . 1 1 50 50 ALA H H . . . . . . . 4.7 . . . . . A . 47 ARG HA . . A . 50 ALA H . . . 47 ARG+ HA . . . . . 50 ALA HN . . rr_1aqa 1 1058 1 . . 1 1 50 50 ALA MB H . . . 1 1 47 47 ARG HA H . . . . . . . 3.6 . . . . . A . 50 ALA MB . . A . 47 ARG HA . . . 50 ALA QB . . . . . 47 ARG+ HA . . rr_1aqa 1 1059 1 OR . 1 1 47 47 ARG HB2 H . . . 1 1 47 47 ARG HG2 H . . . . . . . 6.6 . . . . . A . 47 ARG HB2 . . A . 47 ARG HG2 . . . 47 ARG+ QB . . . . . 47 ARG+ QG . . rr_1aqa 1 1059 2 OR . 1 1 47 47 ARG HB3 H . . . 1 1 47 47 ARG HG2 H . . . . . . . 6.6 . . . . . A . 47 ARG HB3 . . A . 47 ARG HG2 . . . 47 ARG+ QB . . . . . 47 ARG+ QG . . rr_1aqa 1 1059 3 OR . 1 1 47 47 ARG HG3 H . . . 1 1 47 47 ARG HB2 H . . . . . . . 6.6 . . . . . A . 47 ARG HG3 . . A . 47 ARG HB2 . . . 47 ARG+ QG . . . . . 47 ARG+ QB . . rr_1aqa 1 1059 4 OR . 1 1 47 47 ARG HB3 H . . . 1 1 47 47 ARG HG3 H . . . . . . . 6.6 . . . . . A . 47 ARG HB3 . . A . 47 ARG HG3 . . . 47 ARG+ QB . . . . . 47 ARG+ QG . . rr_1aqa 1 1060 1 OR . 1 1 48 48 GLU H H . . . 1 1 47 47 ARG HB2 H . . . . . . . 5.2 . . . . . A . 48 GLU H . . A . 47 ARG HB2 . . . 48 GLU- HN . . . . . 47 ARG+ QB . . rr_1aqa 1 1060 2 OR . 1 1 47 47 ARG HB3 H . . . 1 1 48 48 GLU H H . . . . . . . 5.2 . . . . . A . 47 ARG HB3 . . A . 48 GLU H . . . 47 ARG+ QB . . . . . 48 GLU- HN . . rr_1aqa 1 1061 1 . . 1 1 48 48 GLU H H . . . 1 1 48 48 GLU HA H . . . . . . . 3.4 . . . . . A . 48 GLU H . . A . 48 GLU HA . . . 48 GLU- HN . . . . . 48 GLU- HA . . rr_1aqa 1 1062 1 . . 1 1 48 48 GLU H H . . . 1 1 48 48 GLU HB2 H . . . . . . . 5.3 . . . . . A . 48 GLU H . . A . 48 GLU HB2 . . . 48 GLU- HN . . . . . 48 GLU- HB2 . . rr_1aqa 1 1063 1 . . 1 1 48 48 GLU H H . . . 1 1 48 48 GLU HB3 H . . . . . . . 3.5 . . . . . A . 48 GLU H . . A . 48 GLU HB3 . . . 48 GLU- HN . . . . . 48 GLU- HB3 . . rr_1aqa 1 1064 1 OR . 1 1 48 48 GLU H H . . . 1 1 48 48 GLU HG2 H . . . . . . . 6.3 . . . . . A . 48 GLU H . . A . 48 GLU HG2 . . . 48 GLU- HN . . . . . 48 GLU- QG . . rr_1aqa 1 1064 2 OR . 1 1 48 48 GLU H H . . . 1 1 48 48 GLU HG3 H . . . . . . . 6.3 . . . . . A . 48 GLU H . . A . 48 GLU HG3 . . . 48 GLU- HN . . . . . 48 GLU- QG . . rr_1aqa 1 1065 1 . . 1 1 48 48 GLU H H . . . 1 1 49 49 GLN H H . . . . . . . 3.8 . . . . . A . 48 GLU H . . A . 49 GLN H . . . 48 GLU- HN . . . . . 49 GLN HN . . rr_1aqa 1 1066 1 . . 1 1 48 48 GLU H H . . . 1 1 50 50 ALA H H . . . . . . . 5.4 . . . . . A . 48 GLU H . . A . 50 ALA H . . . 48 GLU- HN . . . . . 50 ALA HN . . rr_1aqa 1 1067 1 . . 1 1 48 48 GLU HA H . . . 1 1 48 48 GLU HB2 H . . . . . . . 3.9 . . . . . A . 48 GLU HA . . A . 48 GLU HB2 . . . 48 GLU- HA . . . . . 48 GLU- HB2 . . rr_1aqa 1 1068 1 . . 1 1 48 48 GLU HB3 H . . . 1 1 48 48 GLU HA H . . . . . . . 3.4 . . . . . A . 48 GLU HB3 . . A . 48 GLU HA . . . 48 GLU- HB3 . . . . . 48 GLU- HA . . rr_1aqa 1 1069 1 OR . 1 1 48 48 GLU HA H . . . 1 1 48 48 GLU HG2 H . . . . . . . 5.4 . . . . . A . 48 GLU HA . . A . 48 GLU HG2 . . . 48 GLU- HA . . . . . 48 GLU- QG . . rr_1aqa 1 1069 2 OR . 1 1 48 48 GLU HG3 H . . . 1 1 48 48 GLU HA H . . . . . . . 5.4 . . . . . A . 48 GLU HG3 . . A . 48 GLU HA . . . 48 GLU- QG . . . . . 48 GLU- HA . . rr_1aqa 1 1070 1 . . 1 1 49 49 GLN H H . . . 1 1 48 48 GLU HA H . . . . . . . 4.7 . . . . . A . 49 GLN H . . A . 48 GLU HA . . . 49 GLN HN . . . . . 48 GLU- HA . . rr_1aqa 1 1071 1 . . 1 1 48 48 GLU HA H . . . 1 1 49 49 GLN HA H . . . . . . . 4.4 . . . . . A . 48 GLU HA . . A . 49 GLN HA . . . 48 GLU- HA . . . . . 49 GLN HA . . rr_1aqa 1 1072 1 . . 1 1 50 50 ALA H H . . . 1 1 48 48 GLU HA H . . . . . . . 5.2 . . . . . A . 50 ALA H . . A . 48 GLU HA . . . 50 ALA HN . . . . . 48 GLU- HA . . rr_1aqa 1 1073 1 OR . 1 1 48 48 GLU HB2 H . . . 1 1 48 48 GLU HG2 H . . . . . . . 5.3 . . . . . A . 48 GLU HB2 . . A . 48 GLU HG2 . . . 48 GLU- HB2 . . . . . 48 GLU- QG . . rr_1aqa 1 1073 2 OR . 1 1 48 48 GLU HG3 H . . . 1 1 48 48 GLU HB2 H . . . . . . . 5.3 . . . . . A . 48 GLU HG3 . . A . 48 GLU HB2 . . . 48 GLU- QG . . . . . 48 GLU- HB2 . . rr_1aqa 1 1074 1 OR . 1 1 48 48 GLU HB3 H . . . 1 1 48 48 GLU HG2 H . . . . . . . 6.1 . . . . . A . 48 GLU HB3 . . A . 48 GLU HG2 . . . 48 GLU- HB3 . . . . . 48 GLU- QG . . rr_1aqa 1 1074 2 OR . 1 1 48 48 GLU HB3 H . . . 1 1 48 48 GLU HG3 H . . . . . . . 6.1 . . . . . A . 48 GLU HB3 . . A . 48 GLU HG3 . . . 48 GLU- HB3 . . . . . 48 GLU- QG . . rr_1aqa 1 1075 1 . . 1 1 48 48 GLU HB3 H . . . 1 1 49 49 GLN H H . . . . . . . 4.9 . . . . . A . 48 GLU HB3 . . A . 49 GLN H . . . 48 GLU- HB3 . . . . . 49 GLN HN . . rr_1aqa 1 1076 1 OR . 1 1 49 49 GLN H H . . . 1 1 49 49 GLN HB2 H . . . . . . . 5.0 . . . . . A . 49 GLN H . . A . 49 GLN HB2 . . . 49 GLN HN . . . . . 49 GLN QB . . rr_1aqa 1 1076 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN H H . . . . . . . 5.0 . . . . . A . 49 GLN HB3 . . A . 49 GLN H . . . 49 GLN QB . . . . . 49 GLN HN . . rr_1aqa 1 1077 1 OR . 1 1 49 49 GLN H H . . . 1 1 49 49 GLN HG2 H . . . . . . . 6.6 . . . . . A . 49 GLN H . . A . 49 GLN HG2 . . . 49 GLN HN . . . . . 49 GLN QG . . rr_1aqa 1 1077 2 OR . 1 1 49 49 GLN HG3 H . . . 1 1 49 49 GLN H H . . . . . . . 6.6 . . . . . A . 49 GLN HG3 . . A . 49 GLN H . . . 49 GLN QG . . . . . 49 GLN HN . . rr_1aqa 1 1078 1 . . 1 1 49 49 GLN H H . . . 1 1 50 50 ALA H H . . . . . . . 3.5 . . . . . A . 49 GLN H . . A . 50 ALA H . . . 49 GLN HN . . . . . 50 ALA HN . . rr_1aqa 1 1079 1 . . 1 1 50 50 ALA MB H . . . 1 1 49 49 GLN H H . . . . . . . 4.1 . . . . . A . 50 ALA MB . . A . 49 GLN H . . . 50 ALA QB . . . . . 49 GLN HN . . rr_1aqa 1 1080 1 OR . 1 1 49 49 GLN HA H . . . 1 1 49 49 GLN HB2 H . . . . . . . 6.2 . . . . . A . 49 GLN HA . . A . 49 GLN HB2 . . . 49 GLN HA . . . . . 49 GLN QB . . rr_1aqa 1 1080 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN HA H . . . . . . . 6.2 . . . . . A . 49 GLN HB3 . . A . 49 GLN HA . . . 49 GLN QB . . . . . 49 GLN HA . . rr_1aqa 1 1081 1 . . 1 1 50 50 ALA H H . . . 1 1 49 49 GLN HA H . . . . . . . 4.7 . . . . . A . 50 ALA H . . A . 49 GLN HA . . . 50 ALA HN . . . . . 49 GLN HA . . rr_1aqa 1 1082 1 . . 1 1 52 52 GLY H H . . . 1 1 49 49 GLN HA H . . . . . . . 5.1 . . . . . A . 52 GLY H . . A . 49 GLN HA . . . 52 GLY HN . . . . . 49 GLN HA . . rr_1aqa 1 1083 1 OR . 1 1 49 49 GLN HB2 H . . . 1 1 49 49 GLN HG2 H . . . . . . . 6.0 . . . . . A . 49 GLN HB2 . . A . 49 GLN HG2 . . . 49 GLN QB . . . . . 49 GLN QG . . rr_1aqa 1 1083 2 OR . 1 1 49 49 GLN HG3 H . . . 1 1 49 49 GLN HB2 H . . . . . . . 6.0 . . . . . A . 49 GLN HG3 . . A . 49 GLN HB2 . . . 49 GLN QG . . . . . 49 GLN QB . . rr_1aqa 1 1083 3 OR . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN HG3 H . . . . . . . 6.0 . . . . . A . 49 GLN HB3 . . A . 49 GLN HG3 . . . 49 GLN QB . . . . . 49 GLN QG . . rr_1aqa 1 1083 4 OR . 1 1 49 49 GLN HB3 H . . . 1 1 49 49 GLN HG2 H . . . . . . . 6.0 . . . . . A . 49 GLN HB3 . . A . 49 GLN HG2 . . . 49 GLN QB . . . . . 49 GLN QG . . rr_1aqa 1 1084 1 OR . 1 1 50 50 ALA H H . . . 1 1 49 49 GLN HB2 H . . . . . . . 6.4 . . . . . A . 50 ALA H . . A . 49 GLN HB2 . . . 50 ALA HN . . . . . 49 GLN QB . . rr_1aqa 1 1084 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 50 50 ALA H H . . . . . . . 6.4 . . . . . A . 49 GLN HB3 . . A . 50 ALA H . . . 49 GLN QB . . . . . 50 ALA HN . . rr_1aqa 1 1085 1 OR . 1 1 57 57 ASN HA H . . . 1 1 49 49 GLN HB2 H . . . . . . . 7.0 . . . . . A . 57 ASN HA . . A . 49 GLN HB2 . . . 57 ASN HA . . . . . 49 GLN QB . . rr_1aqa 1 1085 2 OR . 1 1 49 49 GLN HB3 H . . . 1 1 57 57 ASN HA H . . . . . . . 7.0 . . . . . A . 49 GLN HB3 . . A . 57 ASN HA . . . 49 GLN QB . . . . . 57 ASN HA . . rr_1aqa 1 1086 1 OR . 1 1 54 54 ALA MB H . . . 1 1 49 49 GLN HG2 H . . . . . . . 5.7 . . . . . A . 54 ALA MB . . A . 49 GLN HG2 . . . 54 ALA QB . . . . . 49 GLN QG . . rr_1aqa 1 1086 2 OR . 1 1 54 54 ALA MB H . . . 1 1 49 49 GLN HG3 H . . . . . . . 5.7 . . . . . A . 54 ALA MB . . A . 49 GLN HG3 . . . 54 ALA QB . . . . . 49 GLN QG . . rr_1aqa 1 1087 1 . . 1 1 50 50 ALA HA H . . . 1 1 50 50 ALA H H . . . . . . . 3.9 . . . . . A . 50 ALA HA . . A . 50 ALA H . . . 50 ALA HA . . . . . 50 ALA HN . . rr_1aqa 1 1088 1 . . 1 1 50 50 ALA MB H . . . 1 1 50 50 ALA H H . . . . . . . 3.4 . . . . . A . 50 ALA MB . . A . 50 ALA H . . . 50 ALA QB . . . . . 50 ALA HN . . rr_1aqa 1 1089 1 . . 1 1 51 51 GLY H H . . . 1 1 50 50 ALA H H . . . . . . . 5.2 . . . . . A . 51 GLY H . . A . 50 ALA H . . . 51 GLY HN . . . . . 50 ALA HN . . rr_1aqa 1 1090 1 . . 1 1 50 50 ALA MB H . . . 1 1 50 50 ALA HA H . . . . . . . 3.4 . . . . . A . 50 ALA MB . . A . 50 ALA HA . . . 50 ALA QB . . . . . 50 ALA HA . . rr_1aqa 1 1091 1 . . 1 1 50 50 ALA HA H . . . 1 1 51 51 GLY H H . . . . . . . 3.0 . . . . . A . 50 ALA HA . . A . 51 GLY H . . . 50 ALA HA . . . . . 51 GLY HN . . rr_1aqa 1 1092 1 . . 1 1 50 50 ALA HA H . . . 1 1 52 52 GLY H H . . . . . . . 5.4 . . . . . A . 50 ALA HA . . A . 52 GLY H . . . 50 ALA HA . . . . . 52 GLY HN . . rr_1aqa 1 1093 1 . . 1 1 50 50 ALA MB H . . . 1 1 51 51 GLY H H . . . . . . . 3.4 . . . . . A . 50 ALA MB . . A . 51 GLY H . . . 50 ALA QB . . . . . 51 GLY HN . . rr_1aqa 1 1094 1 . . 1 1 51 51 GLY HA2 H . . . 1 1 50 50 ALA MB H . . . . . . . 6.0 . . . . . A . 51 GLY HA2 . . A . 50 ALA MB . . . 51 GLY HA1 . . . . . 50 ALA QB . . rr_1aqa 1 1095 1 . . 1 1 51 51 GLY HA2 H . . . 1 1 51 51 GLY H H . . . . . . . 3.8 . . . . . A . 51 GLY HA2 . . A . 51 GLY H . . . 51 GLY HA1 . . . . . 51 GLY HN . . rr_1aqa 1 1096 1 . . 1 1 51 51 GLY HA3 H . . . 1 1 51 51 GLY H H . . . . . . . 3.4 . . . . . A . 51 GLY HA3 . . A . 51 GLY H . . . 51 GLY HA2 . . . . . 51 GLY HN . . rr_1aqa 1 1097 1 . . 1 1 51 51 GLY H H . . . 1 1 52 52 GLY H H . . . . . . . 3.9 . . . . . A . 51 GLY H . . A . 52 GLY H . . . 51 GLY HN . . . . . 52 GLY HN . . rr_1aqa 1 1098 1 . . 1 1 51 51 GLY HA2 H . . . 1 1 52 52 GLY H H . . . . . . . 5.3 . . . . . A . 51 GLY HA2 . . A . 52 GLY H . . . 51 GLY HA1 . . . . . 52 GLY HN . . rr_1aqa 1 1099 1 . . 1 1 51 51 GLY HA2 H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.5 . . . . . A . 51 GLY HA2 . . A . 52 GLY HA3 . . . 51 GLY HA1 . . . . . 52 GLY HA2 . . rr_1aqa 1 1100 1 . . 1 1 51 51 GLY HA3 H . . . 1 1 52 52 GLY H H . . . . . . . 5.0 . . . . . A . 51 GLY HA3 . . A . 52 GLY H . . . 51 GLY HA2 . . . . . 52 GLY HN . . rr_1aqa 1 1101 1 . . 1 1 51 51 GLY HA3 H . . . 1 1 52 52 GLY HA2 H . . . . . . . 4.4 . . . . . A . 51 GLY HA3 . . A . 52 GLY HA2 . . . 51 GLY HA2 . . . . . 52 GLY HA1 . . rr_1aqa 1 1102 1 . . 1 1 52 52 GLY H H . . . 1 1 52 52 GLY HA3 H . . . . . . . 4.4 . . . . . A . 52 GLY H . . A . 52 GLY HA3 . . . 52 GLY HN . . . . . 52 GLY HA2 . . rr_1aqa 1 1103 1 . . 1 1 52 52 GLY HA2 H . . . 1 1 53 53 ASP H H . . . . . . . 5.2 . . . . . A . 52 GLY HA2 . . A . 53 ASP H . . . 52 GLY HA1 . . . . . 53 ASP- HN . . rr_1aqa 1 1104 1 . . 1 1 52 52 GLY HA3 H . . . 1 1 53 53 ASP H H . . . . . . . 4.7 . . . . . A . 52 GLY HA3 . . A . 53 ASP H . . . 52 GLY HA2 . . . . . 53 ASP- HN . . rr_1aqa 1 1105 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP H H . . . . . . . 4.7 . . . . . A . 53 ASP HA . . A . 53 ASP H . . . 53 ASP- HA . . . . . 53 ASP- HN . . rr_1aqa 1 1106 1 . . 1 1 53 53 ASP HB2 H . . . 1 1 53 53 ASP H H . . . . . . . 3.9 . . . . . A . 53 ASP HB2 . . A . 53 ASP H . . . 53 ASP- HB2 . . . . . 53 ASP- HN . . rr_1aqa 1 1107 1 . . 1 1 53 53 ASP HB3 H . . . 1 1 53 53 ASP H H . . . . . . . 3.9 . . . . . A . 53 ASP HB3 . . A . 53 ASP H . . . 53 ASP- HB3 . . . . . 53 ASP- HN . . rr_1aqa 1 1108 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB2 H . . . . . . . 4.7 . . . . . A . 53 ASP HA . . A . 53 ASP HB2 . . . 53 ASP- HA . . . . . 53 ASP- HB2 . . rr_1aqa 1 1109 1 . . 1 1 53 53 ASP HA H . . . 1 1 53 53 ASP HB3 H . . . . . . . 4.2 . . . . . A . 53 ASP HA . . A . 53 ASP HB3 . . . 53 ASP- HA . . . . . 53 ASP- HB3 . . rr_1aqa 1 1110 1 . . 1 1 53 53 ASP HA H . . . 1 1 54 54 ALA H H . . . . . . . 3.8 . . . . . A . 53 ASP HA . . A . 54 ALA H . . . 53 ASP- HA . . . . . 54 ALA HN . . rr_1aqa 1 1111 1 . . 1 1 53 53 ASP HA H . . . 1 1 55 55 THR H H . . . . . . . 5.8 . . . . . A . 53 ASP HA . . A . 55 THR H . . . 53 ASP- HA . . . . . 55 THR HN . . rr_1aqa 1 1112 1 . . 1 1 53 53 ASP HA H . . . 1 1 56 56 GLU H H . . . . . . . 5.2 . . . . . A . 53 ASP HA . . A . 56 GLU H . . . 53 ASP- HA . . . . . 56 GLU- HN . . rr_1aqa 1 1113 1 OR . 1 1 53 53 ASP HB3 H . . . 1 1 87 87 ILE HG12 H . . . . . . . 7.0 . . . . . A . 53 ASP HB3 . . A . 87 ILE HG12 . . . 53 ASP- HB3 . . . . . 87 ILE QG1 . . rr_1aqa 1 1113 2 OR . 1 1 53 53 ASP HB3 H . . . 1 1 87 87 ILE HG13 H . . . . . . . 7.0 . . . . . A . 53 ASP HB3 . . A . 87 ILE HG13 . . . 53 ASP- HB3 . . . . . 87 ILE QG1 . . rr_1aqa 1 1114 1 . . 1 1 54 54 ALA HA H . . . 1 1 54 54 ALA H H . . . . . . . 3.4 . . . . . A . 54 ALA HA . . A . 54 ALA H . . . 54 ALA HA . . . . . 54 ALA HN . . rr_1aqa 1 1115 1 . . 1 1 54 54 ALA MB H . . . 1 1 54 54 ALA H H . . . . . . . 3.5 . . . . . A . 54 ALA MB . . A . 54 ALA H . . . 54 ALA QB . . . . . 54 ALA HN . . rr_1aqa 1 1116 1 . . 1 1 54 54 ALA H H . . . 1 1 55 55 THR H H . . . . . . . 3.8 . . . . . A . 54 ALA H . . A . 55 THR H . . . 54 ALA HN . . . . . 55 THR HN . . rr_1aqa 1 1117 1 . . 1 1 54 54 ALA H H . . . 1 1 56 56 GLU H H . . . . . . . 6.0 . . . . . A . 54 ALA H . . A . 56 GLU H . . . 54 ALA HN . . . . . 56 GLU- HN . . rr_1aqa 1 1118 1 . . 1 1 54 54 ALA MB H . . . 1 1 54 54 ALA HA H . . . . . . . 3.4 . . . . . A . 54 ALA MB . . A . 54 ALA HA . . . 54 ALA QB . . . . . 54 ALA HA . . rr_1aqa 1 1119 1 . . 1 1 54 54 ALA HA H . . . 1 1 55 55 THR H H . . . . . . . 4.1 . . . . . A . 54 ALA HA . . A . 55 THR H . . . 54 ALA HA . . . . . 55 THR HN . . rr_1aqa 1 1120 1 OR . 1 1 54 54 ALA HA H . . . 1 1 56 56 GLU HG2 H . . . . . . . 7.0 . . . . . A . 54 ALA HA . . A . 56 GLU HG2 . . . 54 ALA HA . . . . . 56 GLU- QG . . rr_1aqa 1 1120 2 OR . 1 1 54 54 ALA HA H . . . 1 1 56 56 GLU HG3 H . . . . . . . 7.0 . . . . . A . 54 ALA HA . . A . 56 GLU HG3 . . . 54 ALA HA . . . . . 56 GLU- QG . . rr_1aqa 1 1121 1 . . 1 1 54 54 ALA HA H . . . 1 1 57 57 ASN H H . . . . . . . 5.7 . . . . . A . 54 ALA HA . . A . 57 ASN H . . . 54 ALA HA . . . . . 57 ASN HN . . rr_1aqa 1 1122 1 . . 1 1 54 54 ALA HA H . . . 1 1 57 57 ASN HB2 H . . . . . . . 6.0 . . . . . A . 54 ALA HA . . A . 57 ASN HB2 . . . 54 ALA HA . . . . . 57 ASN HB2 . . rr_1aqa 1 1123 1 . . 1 1 54 54 ALA HA H . . . 1 1 58 58 PHE H H . . . . . . . 5.9 . . . . . A . 54 ALA HA . . A . 58 PHE H . . . 54 ALA HA . . . . . 58 PHE HN . . rr_1aqa 1 1124 1 . . 1 1 54 54 ALA MB H . . . 1 1 55 55 THR H H . . . . . . . 4.5 . . . . . A . 54 ALA MB . . A . 55 THR H . . . 54 ALA QB . . . . . 55 THR HN . . rr_1aqa 1 1125 1 OR . 1 1 54 54 ALA MB H . . . 1 1 56 56 GLU HG2 H . . . . . . . 7.4 . . . . . A . 54 ALA MB . . A . 56 GLU HG2 . . . 54 ALA QB . . . . . 56 GLU- QG . . rr_1aqa 1 1125 2 OR . 1 1 54 54 ALA MB H . . . 1 1 56 56 GLU HG3 H . . . . . . . 7.4 . . . . . A . 54 ALA MB . . A . 56 GLU HG3 . . . 54 ALA QB . . . . . 56 GLU- QG . . rr_1aqa 1 1126 1 . . 1 1 54 54 ALA MB H . . . 1 1 57 57 ASN H H . . . . . . . 6.2 . . . . . A . 54 ALA MB . . A . 57 ASN H . . . 54 ALA QB . . . . . 57 ASN HN . . rr_1aqa 1 1127 1 . . 1 1 54 54 ALA MB H . . . 1 1 58 58 PHE H H . . . . . . . 5.5 . . . . . A . 54 ALA MB . . A . 58 PHE H . . . 54 ALA QB . . . . . 58 PHE HN . . rr_1aqa 1 1128 1 OR . 1 1 54 54 ALA MB H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 54 ALA MB . . A . 58 PHE HB2 . . . 54 ALA QB . . . . . 58 PHE QB . . rr_1aqa 1 1128 2 OR . 1 1 54 54 ALA MB H . . . 1 1 58 58 PHE HB3 H . . . . . . . 8.0 . . . . . A . 54 ALA MB . . A . 58 PHE HB3 . . . 54 ALA QB . . . . . 58 PHE QB . . rr_1aqa 1 1129 1 . . 1 1 55 55 THR HA H . . . 1 1 55 55 THR H H . . . . . . . 4.2 . . . . . A . 55 THR HA . . A . 55 THR H . . . 55 THR HA . . . . . 55 THR HN . . rr_1aqa 1 1130 1 . . 1 1 55 55 THR H H . . . 1 1 55 55 THR HB H . . . . . . . 4.1 . . . . . A . 55 THR H . . A . 55 THR HB . . . 55 THR HN . . . . . 55 THR HB . . rr_1aqa 1 1131 1 . . 1 1 55 55 THR MG H . . . 1 1 55 55 THR H H . . . . . . . 5.8 . . . . . A . 55 THR MG . . A . 55 THR H . . . 55 THR QG2 . . . . . 55 THR HN . . rr_1aqa 1 1132 1 . . 1 1 55 55 THR H H . . . 1 1 56 56 GLU H H . . . . . . . 4.4 . . . . . A . 55 THR H . . A . 56 GLU H . . . 55 THR HN . . . . . 56 GLU- HN . . rr_1aqa 1 1133 1 . . 1 1 55 55 THR H H . . . 1 1 56 56 GLU HB2 H . . . . . . . 5.6 . . . . . A . 55 THR H . . A . 56 GLU HB2 . . . 55 THR HN . . . . . 56 GLU- HB2 . . rr_1aqa 1 1134 1 OR . 1 1 55 55 THR H H . . . 1 1 56 56 GLU HG2 H . . . . . . . 7.0 . . . . . A . 55 THR H . . A . 56 GLU HG2 . . . 55 THR HN . . . . . 56 GLU- QG . . rr_1aqa 1 1134 2 OR . 1 1 55 55 THR H H . . . 1 1 56 56 GLU HG3 H . . . . . . . 7.0 . . . . . A . 55 THR H . . A . 56 GLU HG3 . . . 55 THR HN . . . . . 56 GLU- QG . . rr_1aqa 1 1135 1 . . 1 1 55 55 THR H H . . . 1 1 58 58 PHE H H . . . . . . . 5.9 . . . . . A . 55 THR H . . A . 58 PHE H . . . 55 THR HN . . . . . 58 PHE HN . . rr_1aqa 1 1136 1 . . 1 1 55 55 THR HA H . . . 1 1 55 55 THR HB H . . . . . . . 3.8 . . . . . A . 55 THR HA . . A . 55 THR HB . . . 55 THR HA . . . . . 55 THR HB . . rr_1aqa 1 1137 1 . . 1 1 55 55 THR HA H . . . 1 1 55 55 THR MG H . . . . . . . 3.7 . . . . . A . 55 THR HA . . A . 55 THR MG . . . 55 THR HA . . . . . 55 THR QG2 . . rr_1aqa 1 1138 1 . . 1 1 55 55 THR HA H . . . 1 1 56 56 GLU H H . . . . . . . 4.5 . . . . . A . 55 THR HA . . A . 56 GLU H . . . 55 THR HA . . . . . 56 GLU- HN . . rr_1aqa 1 1139 1 . . 1 1 55 55 THR HA H . . . 1 1 58 58 PHE H H . . . . . . . 6.0 . . . . . A . 55 THR HA . . A . 58 PHE H . . . 55 THR HA . . . . . 58 PHE HN . . rr_1aqa 1 1140 1 OR . 1 1 55 55 THR HA H . . . 1 1 58 58 PHE HB2 H . . . . . . . 5.5 . . . . . A . 55 THR HA . . A . 58 PHE HB2 . . . 55 THR HA . . . . . 58 PHE QB . . rr_1aqa 1 1140 2 OR . 1 1 55 55 THR HA H . . . 1 1 58 58 PHE HB3 H . . . . . . . 5.5 . . . . . A . 55 THR HA . . A . 58 PHE HB3 . . . 55 THR HA . . . . . 58 PHE QB . . rr_1aqa 1 1141 1 . . 1 1 55 55 THR HA H . . . 1 1 59 59 GLU H H . . . . . . . 6.0 . . . . . A . 55 THR HA . . A . 59 GLU H . . . 55 THR HA . . . . . 59 GLU- HN . . rr_1aqa 1 1142 1 OR . 1 1 55 55 THR HA H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 59 GLU HB2 . . . 55 THR HA . . . . . 59 GLU- QB . . rr_1aqa 1 1142 2 OR . 1 1 55 55 THR HA H . . . 1 1 59 59 GLU HB3 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 59 GLU HB3 . . . 55 THR HA . . . . . 59 GLU- QB . . rr_1aqa 1 1143 1 OR . 1 1 55 55 THR HA H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 59 GLU HG2 . . . 55 THR HA . . . . . 59 GLU- QG . . rr_1aqa 1 1143 2 OR . 1 1 55 55 THR HA H . . . 1 1 59 59 GLU HG3 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 59 GLU HG3 . . . 55 THR HA . . . . . 59 GLU- QG . . rr_1aqa 1 1144 1 OR . 1 1 55 55 THR HA H . . . 1 1 87 87 ILE HG12 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 87 ILE HG12 . . . 55 THR HA . . . . . 87 ILE QG1 . . rr_1aqa 1 1144 2 OR . 1 1 55 55 THR HA H . . . 1 1 87 87 ILE HG13 H . . . . . . . 7.0 . . . . . A . 55 THR HA . . A . 87 ILE HG13 . . . 55 THR HA . . . . . 87 ILE QG1 . . rr_1aqa 1 1145 1 . . 1 1 55 55 THR MG H . . . 1 1 55 55 THR HB H . . . . . . . 3.6 . . . . . A . 55 THR MG . . A . 55 THR HB . . . 55 THR QG2 . . . . . 55 THR HB . . rr_1aqa 1 1146 1 . . 1 1 56 56 GLU H H . . . 1 1 55 55 THR HB H . . . . . . . 3.6 . . . . . A . 56 GLU H . . A . 55 THR HB . . . 56 GLU- HN . . . . . 55 THR HB . . rr_1aqa 1 1147 1 . . 1 1 55 55 THR HB H . . . 1 1 56 56 GLU HB3 H . . . . . . . 6.0 . . . . . A . 55 THR HB . . A . 56 GLU HB3 . . . 55 THR HB . . . . . 56 GLU- HB3 . . rr_1aqa 1 1148 1 . . 1 1 58 58 PHE H H . . . 1 1 55 55 THR HB H . . . . . . . 6.0 . . . . . A . 58 PHE H . . A . 55 THR HB . . . 58 PHE HN . . . . . 55 THR HB . . rr_1aqa 1 1149 1 . . 1 1 55 55 THR MG H . . . 1 1 56 56 GLU H H . . . . . . . 5.3 . . . . . A . 55 THR MG . . A . 56 GLU H . . . 55 THR QG2 . . . . . 56 GLU- HN . . rr_1aqa 1 1150 1 . . 1 1 55 55 THR MG H . . . 1 1 56 56 GLU HA H . . . . . . . 5.5 . . . . . A . 55 THR MG . . A . 56 GLU HA . . . 55 THR QG2 . . . . . 56 GLU- HA . . rr_1aqa 1 1151 1 . . 1 1 55 55 THR MG H . . . 1 1 57 57 ASN H H . . . . . . . 7.0 . . . . . A . 55 THR MG . . A . 57 ASN H . . . 55 THR QG2 . . . . . 57 ASN HN . . rr_1aqa 1 1152 1 . . 1 1 55 55 THR MG H . . . 1 1 58 58 PHE H H . . . . . . . 7.0 . . . . . A . 55 THR MG . . A . 58 PHE H . . . 55 THR QG2 . . . . . 58 PHE HN . . rr_1aqa 1 1153 1 OR . 1 1 55 55 THR MG H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 55 THR MG . . A . 58 PHE HB2 . . . 55 THR QG2 . . . . . 58 PHE QB . . rr_1aqa 1 1153 2 OR . 1 1 55 55 THR MG H . . . 1 1 58 58 PHE HB3 H . . . . . . . 8.0 . . . . . A . 55 THR MG . . A . 58 PHE HB3 . . . 55 THR QG2 . . . . . 58 PHE QB . . rr_1aqa 1 1154 1 . . 1 1 55 55 THR MG H . . . 1 1 59 59 GLU H H . . . . . . . 7.0 . . . . . A . 55 THR MG . . A . 59 GLU H . . . 55 THR QG2 . . . . . 59 GLU- HN . . rr_1aqa 1 1155 1 . . 1 1 56 56 GLU H H . . . 1 1 56 56 GLU HA H . . . . . . . 3.5 . . . . . A . 56 GLU H . . A . 56 GLU HA . . . 56 GLU- HN . . . . . 56 GLU- HA . . rr_1aqa 1 1156 1 . . 1 1 56 56 GLU H H . . . 1 1 56 56 GLU HB2 H . . . . . . . 3.0 . . . . . A . 56 GLU H . . A . 56 GLU HB2 . . . 56 GLU- HN . . . . . 56 GLU- HB2 . . rr_1aqa 1 1157 1 . . 1 1 56 56 GLU H H . . . 1 1 56 56 GLU HB3 H . . . . . . . 4.2 . . . . . A . 56 GLU H . . A . 56 GLU HB3 . . . 56 GLU- HN . . . . . 56 GLU- HB3 . . rr_1aqa 1 1158 1 OR . 1 1 56 56 GLU H H . . . 1 1 56 56 GLU HG2 H . . . . . . . 5.6 . . . . . A . 56 GLU H . . A . 56 GLU HG2 . . . 56 GLU- HN . . . . . 56 GLU- QG . . rr_1aqa 1 1158 2 OR . 1 1 56 56 GLU H H . . . 1 1 56 56 GLU HG3 H . . . . . . . 5.6 . . . . . A . 56 GLU H . . A . 56 GLU HG3 . . . 56 GLU- HN . . . . . 56 GLU- QG . . rr_1aqa 1 1159 1 . . 1 1 56 56 GLU H H . . . 1 1 57 57 ASN H H . . . . . . . 3.6 . . . . . A . 56 GLU H . . A . 57 ASN H . . . 56 GLU- HN . . . . . 57 ASN HN . . rr_1aqa 1 1160 1 . . 1 1 58 58 PHE H H . . . 1 1 56 56 GLU H H . . . . . . . 5.5 . . . . . A . 58 PHE H . . A . 56 GLU H . . . 58 PHE HN . . . . . 56 GLU- HN . . rr_1aqa 1 1161 1 . . 1 1 56 56 GLU H H . . . 1 1 59 59 GLU H H . . . . . . . 6.0 . . . . . A . 56 GLU H . . A . 59 GLU H . . . 56 GLU- HN . . . . . 59 GLU- HN . . rr_1aqa 1 1162 1 . . 1 1 56 56 GLU H H . . . 1 1 60 60 ASP H H . . . . . . . 6.0 . . . . . A . 56 GLU H . . A . 60 ASP H . . . 56 GLU- HN . . . . . 60 ASP- HN . . rr_1aqa 1 1163 1 . . 1 1 56 56 GLU HB2 H . . . 1 1 56 56 GLU HA H . . . . . . . 3.1 . . . . . A . 56 GLU HB2 . . A . 56 GLU HA . . . 56 GLU- HB2 . . . . . 56 GLU- HA . . rr_1aqa 1 1164 1 . . 1 1 56 56 GLU HB3 H . . . 1 1 56 56 GLU HA H . . . . . . . 4.8 . . . . . A . 56 GLU HB3 . . A . 56 GLU HA . . . 56 GLU- HB3 . . . . . 56 GLU- HA . . rr_1aqa 1 1165 1 OR . 1 1 56 56 GLU HA H . . . 1 1 56 56 GLU HG2 H . . . . . . . 5.9 . . . . . A . 56 GLU HA . . A . 56 GLU HG2 . . . 56 GLU- HA . . . . . 56 GLU- QG . . rr_1aqa 1 1165 2 OR . 1 1 56 56 GLU HG3 H . . . 1 1 56 56 GLU HA H . . . . . . . 5.9 . . . . . A . 56 GLU HG3 . . A . 56 GLU HA . . . 56 GLU- QG . . . . . 56 GLU- HA . . rr_1aqa 1 1166 1 . . 1 1 57 57 ASN H H . . . 1 1 56 56 GLU HA H . . . . . . . 5.4 . . . . . A . 57 ASN H . . A . 56 GLU HA . . . 57 ASN HN . . . . . 56 GLU- HA . . rr_1aqa 1 1167 1 . . 1 1 57 57 ASN HA H . . . 1 1 56 56 GLU HA H . . . . . . . 4.8 . . . . . A . 57 ASN HA . . A . 56 GLU HA . . . 57 ASN HA . . . . . 56 GLU- HA . . rr_1aqa 1 1168 1 . . 1 1 59 59 GLU H H . . . 1 1 56 56 GLU HA H . . . . . . . 6.0 . . . . . A . 59 GLU H . . A . 56 GLU HA . . . 59 GLU- HN . . . . . 56 GLU- HA . . rr_1aqa 1 1169 1 OR . 1 1 56 56 GLU HA H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 56 GLU HA . . A . 59 GLU HB2 . . . 56 GLU- HA . . . . . 59 GLU- QB . . rr_1aqa 1 1169 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 56 56 GLU HA H . . . . . . . 7.0 . . . . . A . 59 GLU HB3 . . A . 56 GLU HA . . . 59 GLU- QB . . . . . 56 GLU- HA . . rr_1aqa 1 1170 1 . . 1 1 56 56 GLU HA H . . . 1 1 60 60 ASP H H . . . . . . . 5.9 . . . . . A . 56 GLU HA . . A . 60 ASP H . . . 56 GLU- HA . . . . . 60 ASP- HN . . rr_1aqa 1 1171 1 . . 1 1 56 56 GLU HA H . . . 1 1 60 60 ASP HB3 H . . . . . . . 4.8 . . . . . A . 56 GLU HA . . A . 60 ASP HB3 . . . 56 GLU- HA . . . . . 60 ASP- HB3 . . rr_1aqa 1 1172 1 . . 1 1 57 57 ASN H H . . . 1 1 56 56 GLU HB2 H . . . . . . . 3.3 . . . . . A . 57 ASN H . . A . 56 GLU HB2 . . . 57 ASN HN . . . . . 56 GLU- HB2 . . rr_1aqa 1 1173 1 . . 1 1 57 57 ASN HA H . . . 1 1 56 56 GLU HB2 H . . . . . . . 4.9 . . . . . A . 57 ASN HA . . A . 56 GLU HB2 . . . 57 ASN HA . . . . . 56 GLU- HB2 . . rr_1aqa 1 1174 1 . . 1 1 56 56 GLU HB2 H . . . 1 1 59 59 GLU H H . . . . . . . 5.5 . . . . . A . 56 GLU HB2 . . A . 59 GLU H . . . 56 GLU- HB2 . . . . . 59 GLU- HN . . rr_1aqa 1 1175 1 . . 1 1 56 56 GLU HB2 H . . . 1 1 60 60 ASP H H . . . . . . . 6.0 . . . . . A . 56 GLU HB2 . . A . 60 ASP H . . . 56 GLU- HB2 . . . . . 60 ASP- HN . . rr_1aqa 1 1176 1 OR . 1 1 56 56 GLU HB3 H . . . 1 1 56 56 GLU HG2 H . . . . . . . 5.4 . . . . . A . 56 GLU HB3 . . A . 56 GLU HG2 . . . 56 GLU- HB3 . . . . . 56 GLU- QG . . rr_1aqa 1 1176 2 OR . 1 1 56 56 GLU HG3 H . . . 1 1 56 56 GLU HB3 H . . . . . . . 5.4 . . . . . A . 56 GLU HG3 . . A . 56 GLU HB3 . . . 56 GLU- QG . . . . . 56 GLU- HB3 . . rr_1aqa 1 1177 1 OR . 1 1 56 56 GLU HG3 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 8.0 . . . . . A . 56 GLU HG3 . . A . 59 GLU HB2 . . . 56 GLU- QG . . . . . 59 GLU- QB . . rr_1aqa 1 1177 2 OR . 1 1 56 56 GLU HG2 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 8.0 . . . . . A . 56 GLU HG2 . . A . 59 GLU HB2 . . . 56 GLU- QG . . . . . 59 GLU- QB . . rr_1aqa 1 1177 3 OR . 1 1 59 59 GLU HB3 H . . . 1 1 56 56 GLU HG2 H . . . . . . . 8.0 . . . . . A . 59 GLU HB3 . . A . 56 GLU HG2 . . . 59 GLU- QB . . . . . 56 GLU- QG . . rr_1aqa 1 1177 4 OR . 1 1 56 56 GLU HG3 H . . . 1 1 59 59 GLU HB3 H . . . . . . . 8.0 . . . . . A . 56 GLU HG3 . . A . 59 GLU HB3 . . . 56 GLU- QG . . . . . 59 GLU- QB . . rr_1aqa 1 1178 1 . . 1 1 57 57 ASN HA H . . . 1 1 57 57 ASN H H . . . . . . . 4.4 . . . . . A . 57 ASN HA . . A . 57 ASN H . . . 57 ASN HA . . . . . 57 ASN HN . . rr_1aqa 1 1179 1 . . 1 1 57 57 ASN H H . . . 1 1 57 57 ASN HB2 H . . . . . . . 3.6 . . . . . A . 57 ASN H . . A . 57 ASN HB2 . . . 57 ASN HN . . . . . 57 ASN HB2 . . rr_1aqa 1 1180 1 . . 1 1 58 58 PHE H H . . . 1 1 57 57 ASN H H . . . . . . . 3.4 . . . . . A . 58 PHE H . . A . 57 ASN H . . . 58 PHE HN . . . . . 57 ASN HN . . rr_1aqa 1 1181 1 OR . 1 1 57 57 ASN H H . . . 1 1 58 58 PHE HB2 H . . . . . . . 4.9 . . . . . A . 57 ASN H . . A . 58 PHE HB2 . . . 57 ASN HN . . . . . 58 PHE QB . . rr_1aqa 1 1181 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 57 57 ASN H H . . . . . . . 4.9 . . . . . A . 58 PHE HB3 . . A . 57 ASN H . . . 58 PHE QB . . . . . 57 ASN HN . . rr_1aqa 1 1182 1 . . 1 1 57 57 ASN H H . . . 1 1 59 59 GLU H H . . . . . . . 6.0 . . . . . A . 57 ASN H . . A . 59 GLU H . . . 57 ASN HN . . . . . 59 GLU- HN . . rr_1aqa 1 1183 1 . . 1 1 57 57 ASN H H . . . 1 1 60 60 ASP H H . . . . . . . 6.0 . . . . . A . 57 ASN H . . A . 60 ASP H . . . 57 ASN HN . . . . . 60 ASP- HN . . rr_1aqa 1 1184 1 . . 1 1 57 57 ASN HA H . . . 1 1 57 57 ASN HB2 H . . . . . . . 3.9 . . . . . A . 57 ASN HA . . A . 57 ASN HB2 . . . 57 ASN HA . . . . . 57 ASN HB2 . . rr_1aqa 1 1185 1 OR . 1 1 57 57 ASN HA H . . . 1 1 58 58 PHE HB2 H . . . . . . . 5.9 . . . . . A . 57 ASN HA . . A . 58 PHE HB2 . . . 57 ASN HA . . . . . 58 PHE QB . . rr_1aqa 1 1185 2 OR . 1 1 57 57 ASN HA H . . . 1 1 58 58 PHE HB3 H . . . . . . . 5.9 . . . . . A . 57 ASN HA . . A . 58 PHE HB3 . . . 57 ASN HA . . . . . 58 PHE QB . . rr_1aqa 1 1186 1 . . 1 1 57 57 ASN HA H . . . 1 1 59 59 GLU H H . . . . . . . 6.0 . . . . . A . 57 ASN HA . . A . 59 GLU H . . . 57 ASN HA . . . . . 59 GLU- HN . . rr_1aqa 1 1187 1 . . 1 1 57 57 ASN HA H . . . 1 1 60 60 ASP H H . . . . . . . 5.4 . . . . . A . 57 ASN HA . . A . 60 ASP H . . . 57 ASN HA . . . . . 60 ASP- HN . . rr_1aqa 1 1188 1 . . 1 1 57 57 ASN HA H . . . 1 1 60 60 ASP HB2 H . . . . . . . 6.0 . . . . . A . 57 ASN HA . . A . 60 ASP HB2 . . . 57 ASN HA . . . . . 60 ASP- HB2 . . rr_1aqa 1 1189 1 . . 1 1 57 57 ASN HA H . . . 1 1 60 60 ASP HB3 H . . . . . . . 5.1 . . . . . A . 57 ASN HA . . A . 60 ASP HB3 . . . 57 ASN HA . . . . . 60 ASP- HB3 . . rr_1aqa 1 1190 1 . . 1 1 57 57 ASN HA H . . . 1 1 61 61 VAL H H . . . . . . . 6.0 . . . . . A . 57 ASN HA . . A . 61 VAL H . . . 57 ASN HA . . . . . 61 VAL HN . . rr_1aqa 1 1191 1 . . 1 1 58 58 PHE H H . . . 1 1 57 57 ASN HB2 H . . . . . . . 3.4 . . . . . A . 58 PHE H . . A . 57 ASN HB2 . . . 58 PHE HN . . . . . 57 ASN HB2 . . rr_1aqa 1 1192 1 . . 1 1 57 57 ASN HB2 H . . . 1 1 61 61 VAL MG1 H . . . . . . . 7.0 . . . . . A . 57 ASN HB2 . . A . 61 VAL MG1 . . . 57 ASN HB2 . . . . . 61 VAL QG1 . . rr_1aqa 1 1193 1 . . 1 1 58 58 PHE H H . . . 1 1 58 58 PHE HA H . . . . . . . 5.8 . . . . . A . 58 PHE H . . A . 58 PHE HA . . . 58 PHE HN . . . . . 58 PHE HA . . rr_1aqa 1 1194 1 OR . 1 1 58 58 PHE H H . . . 1 1 58 58 PHE HB2 H . . . . . . . 4.1 . . . . . A . 58 PHE H . . A . 58 PHE HB2 . . . 58 PHE HN . . . . . 58 PHE QB . . rr_1aqa 1 1194 2 OR . 1 1 58 58 PHE H H . . . 1 1 58 58 PHE HB3 H . . . . . . . 4.1 . . . . . A . 58 PHE H . . A . 58 PHE HB3 . . . 58 PHE HN . . . . . 58 PHE QB . . rr_1aqa 1 1195 1 . . 1 1 58 58 PHE H H . . . 1 1 59 59 GLU H H . . . . . . . 4.0 . . . . . A . 58 PHE H . . A . 59 GLU H . . . 58 PHE HN . . . . . 59 GLU- HN . . rr_1aqa 1 1196 1 OR . 1 1 58 58 PHE H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.0 . . . . . A . 58 PHE H . . A . 59 GLU HG2 . . . 58 PHE HN . . . . . 59 GLU- QG . . rr_1aqa 1 1196 2 OR . 1 1 58 58 PHE H H . . . 1 1 59 59 GLU HG3 H . . . . . . . 7.0 . . . . . A . 58 PHE H . . A . 59 GLU HG3 . . . 58 PHE HN . . . . . 59 GLU- QG . . rr_1aqa 1 1197 1 . . 1 1 58 58 PHE H H . . . 1 1 60 60 ASP H H . . . . . . . 5.5 . . . . . A . 58 PHE H . . A . 60 ASP H . . . 58 PHE HN . . . . . 60 ASP- HN . . rr_1aqa 1 1198 1 . . 1 1 58 58 PHE H H . . . 1 1 61 61 VAL MG1 H . . . . . . . 7.0 . . . . . A . 58 PHE H . . A . 61 VAL MG1 . . . 58 PHE HN . . . . . 61 VAL QG1 . . rr_1aqa 1 1199 1 OR . 1 1 58 58 PHE HA H . . . 1 1 58 58 PHE HB2 H . . . . . . . 7.0 . . . . . A . 58 PHE HA . . A . 58 PHE HB2 . . . 58 PHE HA . . . . . 58 PHE QB . . rr_1aqa 1 1199 2 OR . 1 1 58 58 PHE HA H . . . 1 1 58 58 PHE HB3 H . . . . . . . 7.0 . . . . . A . 58 PHE HA . . A . 58 PHE HB3 . . . 58 PHE HA . . . . . 58 PHE QB . . rr_1aqa 1 1200 1 . . 1 1 58 58 PHE HA H . . . 1 1 60 60 ASP H H . . . . . . . 6.0 . . . . . A . 58 PHE HA . . A . 60 ASP H . . . 58 PHE HA . . . . . 60 ASP- HN . . rr_1aqa 1 1201 1 . . 1 1 58 58 PHE HA H . . . 1 1 61 61 VAL H H . . . . . . . 6.0 . . . . . A . 58 PHE HA . . A . 61 VAL H . . . 58 PHE HA . . . . . 61 VAL HN . . rr_1aqa 1 1202 1 OR . 1 1 59 59 GLU H H . . . 1 1 58 58 PHE HB2 H . . . . . . . 5.3 . . . . . A . 59 GLU H . . A . 58 PHE HB2 . . . 59 GLU- HN . . . . . 58 PHE QB . . rr_1aqa 1 1202 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 59 59 GLU H H . . . . . . . 5.3 . . . . . A . 58 PHE HB3 . . A . 59 GLU H . . . 58 PHE QB . . . . . 59 GLU- HN . . rr_1aqa 1 1203 1 OR . 1 1 58 58 PHE HB2 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 8.0 . . . . . A . 58 PHE HB2 . . A . 59 GLU HB2 . . . 58 PHE QB . . . . . 59 GLU- QB . . rr_1aqa 1 1203 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 59 GLU HB2 . . . 58 PHE QB . . . . . 59 GLU- QB . . rr_1aqa 1 1203 3 OR . 1 1 59 59 GLU HB3 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 59 GLU HB3 . . A . 58 PHE HB2 . . . 59 GLU- QB . . . . . 58 PHE QB . . rr_1aqa 1 1203 4 OR . 1 1 58 58 PHE HB3 H . . . 1 1 59 59 GLU HB3 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 59 GLU HB3 . . . 58 PHE QB . . . . . 59 GLU- QB . . rr_1aqa 1 1204 1 OR . 1 1 58 58 PHE HB2 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.9 . . . . . A . 58 PHE HB2 . . A . 59 GLU HG2 . . . 58 PHE QB . . . . . 59 GLU- QG . . rr_1aqa 1 1204 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 7.9 . . . . . A . 59 GLU HG3 . . A . 58 PHE HB2 . . . 59 GLU- QG . . . . . 58 PHE QB . . rr_1aqa 1 1204 3 OR . 1 1 58 58 PHE HB3 H . . . 1 1 59 59 GLU HG3 H . . . . . . . 7.9 . . . . . A . 58 PHE HB3 . . A . 59 GLU HG3 . . . 58 PHE QB . . . . . 59 GLU- QG . . rr_1aqa 1 1204 4 OR . 1 1 58 58 PHE HB3 H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.9 . . . . . A . 58 PHE HB3 . . A . 59 GLU HG2 . . . 58 PHE QB . . . . . 59 GLU- QG . . rr_1aqa 1 1205 1 OR . 1 1 61 61 VAL H H . . . 1 1 58 58 PHE HB2 H . . . . . . . 7.0 . . . . . A . 61 VAL H . . A . 58 PHE HB2 . . . 61 VAL HN . . . . . 58 PHE QB . . rr_1aqa 1 1205 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 61 61 VAL H H . . . . . . . 7.0 . . . . . A . 58 PHE HB3 . . A . 61 VAL H . . . 58 PHE QB . . . . . 61 VAL HN . . rr_1aqa 1 1206 1 OR . 1 1 61 61 VAL MG1 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 61 VAL MG1 . . A . 58 PHE HB2 . . . 61 VAL QG1 . . . . . 58 PHE QB . . rr_1aqa 1 1206 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 61 61 VAL MG1 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 61 VAL MG1 . . . 58 PHE QB . . . . . 61 VAL QG1 . . rr_1aqa 1 1207 1 OR . 1 1 61 61 VAL MG2 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 61 VAL MG2 . . A . 58 PHE HB2 . . . 61 VAL QG2 . . . . . 58 PHE QB . . rr_1aqa 1 1207 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 61 61 VAL MG2 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 61 VAL MG2 . . . 58 PHE QB . . . . . 61 VAL QG2 . . rr_1aqa 1 1208 1 OR . 1 1 58 58 PHE HB2 H . . . 1 1 71 71 SER HB2 H . . . . . . . 8.0 . . . . . A . 58 PHE HB2 . . A . 71 SER HB2 . . . 58 PHE QB . . . . . 71 SER QB . . rr_1aqa 1 1208 2 OR . 1 1 58 58 PHE HB3 H . . . 1 1 71 71 SER HB2 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 71 SER HB2 . . . 58 PHE QB . . . . . 71 SER QB . . rr_1aqa 1 1208 3 OR . 1 1 71 71 SER HB3 H . . . 1 1 58 58 PHE HB2 H . . . . . . . 8.0 . . . . . A . 71 SER HB3 . . A . 58 PHE HB2 . . . 71 SER QB . . . . . 58 PHE QB . . rr_1aqa 1 1208 4 OR . 1 1 58 58 PHE HB3 H . . . 1 1 71 71 SER HB3 H . . . . . . . 8.0 . . . . . A . 58 PHE HB3 . . A . 71 SER HB3 . . . 58 PHE QB . . . . . 71 SER QB . . rr_1aqa 1 1209 1 . . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HA H . . . . . . . 5.2 . . . . . A . 59 GLU H . . A . 59 GLU HA . . . 59 GLU- HN . . . . . 59 GLU- HA . . rr_1aqa 1 1210 1 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB2 H . . . . . . . 5.1 . . . . . A . 59 GLU H . . A . 59 GLU HB2 . . . 59 GLU- HN . . . . . 59 GLU- QB . . rr_1aqa 1 1210 2 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HB3 H . . . . . . . 5.1 . . . . . A . 59 GLU H . . A . 59 GLU HB3 . . . 59 GLU- HN . . . . . 59 GLU- QB . . rr_1aqa 1 1211 1 OR . 1 1 59 59 GLU H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.0 . . . . . A . 59 GLU H . . A . 59 GLU HG2 . . . 59 GLU- HN . . . . . 59 GLU- QG . . rr_1aqa 1 1211 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 59 59 GLU H H . . . . . . . 7.0 . . . . . A . 59 GLU HG3 . . A . 59 GLU H . . . 59 GLU- QG . . . . . 59 GLU- HN . . rr_1aqa 1 1212 1 . . 1 1 59 59 GLU H H . . . 1 1 60 60 ASP H H . . . . . . . 4.0 . . . . . A . 59 GLU H . . A . 60 ASP H . . . 59 GLU- HN . . . . . 60 ASP- HN . . rr_1aqa 1 1213 1 . . 1 1 59 59 GLU H H . . . 1 1 61 61 VAL H H . . . . . . . 6.0 . . . . . A . 59 GLU H . . A . 61 VAL H . . . 59 GLU- HN . . . . . 61 VAL HN . . rr_1aqa 1 1214 1 OR . 1 1 59 59 GLU HA H . . . 1 1 59 59 GLU HB2 H . . . . . . . 6.0 . . . . . A . 59 GLU HA . . A . 59 GLU HB2 . . . 59 GLU- HA . . . . . 59 GLU- QB . . rr_1aqa 1 1214 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 59 59 GLU HA H . . . . . . . 6.0 . . . . . A . 59 GLU HB3 . . A . 59 GLU HA . . . 59 GLU- QB . . . . . 59 GLU- HA . . rr_1aqa 1 1215 1 OR . 1 1 60 60 ASP H H . . . 1 1 59 59 GLU HB2 H . . . . . . . 5.6 . . . . . A . 60 ASP H . . A . 59 GLU HB2 . . . 60 ASP- HN . . . . . 59 GLU- QB . . rr_1aqa 1 1215 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 60 60 ASP H H . . . . . . . 5.6 . . . . . A . 59 GLU HB3 . . A . 60 ASP H . . . 59 GLU- QB . . . . . 60 ASP- HN . . rr_1aqa 1 1216 1 OR . 1 1 60 60 ASP HB2 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 60 ASP HB2 . . A . 59 GLU HB2 . . . 60 ASP- HB2 . . . . . 59 GLU- QB . . rr_1aqa 1 1216 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 60 60 ASP HB2 H . . . . . . . 7.0 . . . . . A . 59 GLU HB3 . . A . 60 ASP HB2 . . . 59 GLU- QB . . . . . 60 ASP- HB2 . . rr_1aqa 1 1217 1 OR . 1 1 60 60 ASP HB3 H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 60 ASP HB3 . . A . 59 GLU HB2 . . . 60 ASP- HB3 . . . . . 59 GLU- QB . . rr_1aqa 1 1217 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 60 60 ASP HB3 H . . . . . . . 7.0 . . . . . A . 59 GLU HB3 . . A . 60 ASP HB3 . . . 59 GLU- QB . . . . . 60 ASP- HB3 . . rr_1aqa 1 1218 1 OR . 1 1 68 68 ARG H H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 68 ARG H . . A . 59 GLU HB2 . . . 68 ARG+ HN . . . . . 59 GLU- QB . . rr_1aqa 1 1218 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 68 68 ARG H H . . . . . . . 7.0 . . . . . A . 59 GLU HB3 . . A . 68 ARG H . . . 59 GLU- QB . . . . . 68 ARG+ HN . . rr_1aqa 1 1219 1 OR . 1 1 68 68 ARG HA H . . . 1 1 59 59 GLU HB2 H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 59 GLU HB2 . . . 68 ARG+ HA . . . . . 59 GLU- QB . . rr_1aqa 1 1219 2 OR . 1 1 59 59 GLU HB3 H . . . 1 1 68 68 ARG HA H . . . . . . . 7.0 . . . . . A . 59 GLU HB3 . . A . 68 ARG HA . . . 59 GLU- QB . . . . . 68 ARG+ HA . . rr_1aqa 1 1220 1 OR . 1 1 60 60 ASP H H . . . 1 1 59 59 GLU HG2 H . . . . . . . 7.0 . . . . . A . 60 ASP H . . A . 59 GLU HG2 . . . 60 ASP- HN . . . . . 59 GLU- QG . . rr_1aqa 1 1220 2 OR . 1 1 59 59 GLU HG3 H . . . 1 1 60 60 ASP H H . . . . . . . 7.0 . . . . . A . 59 GLU HG3 . . A . 60 ASP H . . . 59 GLU- QG . . . . . 60 ASP- HN . . rr_1aqa 1 1221 1 . . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP HA H . . . . . . . 3.5 . . . . . A . 60 ASP H . . A . 60 ASP HA . . . 60 ASP- HN . . . . . 60 ASP- HA . . rr_1aqa 1 1222 1 . . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP HB2 H . . . . . . . 3.8 . . . . . A . 60 ASP H . . A . 60 ASP HB2 . . . 60 ASP- HN . . . . . 60 ASP- HB2 . . rr_1aqa 1 1223 1 . . 1 1 60 60 ASP H H . . . 1 1 60 60 ASP HB3 H . . . . . . . 3.2 . . . . . A . 60 ASP H . . A . 60 ASP HB3 . . . 60 ASP- HN . . . . . 60 ASP- HB3 . . rr_1aqa 1 1224 1 . . 1 1 60 60 ASP H H . . . 1 1 61 61 VAL H H . . . . . . . 3.9 . . . . . A . 60 ASP H . . A . 61 VAL H . . . 60 ASP- HN . . . . . 61 VAL HN . . rr_1aqa 1 1225 1 . . 1 1 60 60 ASP H H . . . 1 1 61 61 VAL MG1 H . . . . . . . 7.0 . . . . . A . 60 ASP H . . A . 61 VAL MG1 . . . 60 ASP- HN . . . . . 61 VAL QG1 . . rr_1aqa 1 1226 1 . . 1 1 60 60 ASP H H . . . 1 1 62 62 GLY H H . . . . . . . 6.0 . . . . . A . 60 ASP H . . A . 62 GLY H . . . 60 ASP- HN . . . . . 62 GLY HN . . rr_1aqa 1 1227 1 . . 1 1 60 60 ASP HB2 H . . . 1 1 60 60 ASP HA H . . . . . . . 4.1 . . . . . A . 60 ASP HB2 . . A . 60 ASP HA . . . 60 ASP- HB2 . . . . . 60 ASP- HA . . rr_1aqa 1 1228 1 . . 1 1 60 60 ASP HB3 H . . . 1 1 60 60 ASP HA H . . . . . . . 3.5 . . . . . A . 60 ASP HB3 . . A . 60 ASP HA . . . 60 ASP- HB3 . . . . . 60 ASP- HA . . rr_1aqa 1 1229 1 . . 1 1 61 61 VAL H H . . . 1 1 60 60 ASP HA H . . . . . . . 4.7 . . . . . A . 61 VAL H . . A . 60 ASP HA . . . 61 VAL HN . . . . . 60 ASP- HA . . rr_1aqa 1 1230 1 . . 1 1 60 60 ASP HA H . . . 1 1 62 62 GLY H H . . . . . . . 5.2 . . . . . A . 60 ASP HA . . A . 62 GLY H . . . 60 ASP- HA . . . . . 62 GLY HN . . rr_1aqa 1 1231 1 . . 1 1 60 60 ASP HB2 H . . . 1 1 61 61 VAL H H . . . . . . . 4.7 . . . . . A . 60 ASP HB2 . . A . 61 VAL H . . . 60 ASP- HB2 . . . . . 61 VAL HN . . rr_1aqa 1 1232 1 . . 1 1 60 60 ASP HB2 H . . . 1 1 62 62 GLY H H . . . . . . . 5.4 . . . . . A . 60 ASP HB2 . . A . 62 GLY H . . . 60 ASP- HB2 . . . . . 62 GLY HN . . rr_1aqa 1 1233 1 . . 1 1 60 60 ASP HB3 H . . . 1 1 61 61 VAL H H . . . . . . . 4.6 . . . . . A . 60 ASP HB3 . . A . 61 VAL H . . . 60 ASP- HB3 . . . . . 61 VAL HN . . rr_1aqa 1 1234 1 . . 1 1 60 60 ASP HB3 H . . . 1 1 61 61 VAL MG1 H . . . . . . . 7.0 . . . . . A . 60 ASP HB3 . . A . 61 VAL MG1 . . . 60 ASP- HB3 . . . . . 61 VAL QG1 . . rr_1aqa 1 1235 1 . . 1 1 60 60 ASP HB3 H . . . 1 1 62 62 GLY H H . . . . . . . 5.0 . . . . . A . 60 ASP HB3 . . A . 62 GLY H . . . 60 ASP- HB3 . . . . . 62 GLY HN . . rr_1aqa 1 1236 1 . . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL HA H . . . . . . . 3.7 . . . . . A . 61 VAL H . . A . 61 VAL HA . . . 61 VAL HN . . . . . 61 VAL HA . . rr_1aqa 1 1237 1 . . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL HB H . . . . . . . 3.5 . . . . . A . 61 VAL H . . A . 61 VAL HB . . . 61 VAL HN . . . . . 61 VAL HB . . rr_1aqa 1 1238 1 . . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL MG1 H . . . . . . . 3.8 . . . . . A . 61 VAL H . . A . 61 VAL MG1 . . . 61 VAL HN . . . . . 61 VAL QG1 . . rr_1aqa 1 1239 1 . . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL MG2 H . . . . . . . 4.9 . . . . . A . 61 VAL H . . A . 61 VAL MG2 . . . 61 VAL HN . . . . . 61 VAL QG2 . . rr_1aqa 1 1240 1 . . 1 1 61 61 VAL H H . . . 1 1 62 62 GLY H H . . . . . . . 3.7 . . . . . A . 61 VAL H . . A . 62 GLY H . . . 61 VAL HN . . . . . 62 GLY HN . . rr_1aqa 1 1241 1 . . 1 1 61 61 VAL H H . . . 1 1 63 63 HIS HA H . . . . . . . 5.5 . . . . . A . 61 VAL H . . A . 63 HIS HA . . . 61 VAL HN . . . . . 63 HEM HA . . rr_1aqa 1 1242 1 . . 1 1 61 61 VAL HA H . . . 1 1 61 61 VAL HB H . . . . . . . 3.9 . . . . . A . 61 VAL HA . . A . 61 VAL HB . . . 61 VAL HA . . . . . 61 VAL HB . . rr_1aqa 1 1243 1 . . 1 1 61 61 VAL MG1 H . . . 1 1 61 61 VAL HA H . . . . . . . 3.7 . . . . . A . 61 VAL MG1 . . A . 61 VAL HA . . . 61 VAL QG1 . . . . . 61 VAL HA . . rr_1aqa 1 1244 1 . . 1 1 61 61 VAL MG2 H . . . 1 1 61 61 VAL HA H . . . . . . . 3.8 . . . . . A . 61 VAL MG2 . . A . 61 VAL HA . . . 61 VAL QG2 . . . . . 61 VAL HA . . rr_1aqa 1 1245 1 . . 1 1 62 62 GLY H H . . . 1 1 61 61 VAL HA H . . . . . . . 5.3 . . . . . A . 62 GLY H . . A . 61 VAL HA . . . 62 GLY HN . . . . . 61 VAL HA . . rr_1aqa 1 1246 1 . . 1 1 61 61 VAL HA H . . . 1 1 62 62 GLY HA2 H . . . . . . . 5.1 . . . . . A . 61 VAL HA . . A . 62 GLY HA2 . . . 61 VAL HA . . . . . 62 GLY HA1 . . rr_1aqa 1 1247 1 . . 1 1 61 61 VAL HA H . . . 1 1 62 62 GLY HA3 H . . . . . . . 4.8 . . . . . A . 61 VAL HA . . A . 62 GLY HA3 . . . 61 VAL HA . . . . . 62 GLY HA2 . . rr_1aqa 1 1248 1 . . 1 1 61 61 VAL MG1 H . . . 1 1 61 61 VAL HB H . . . . . . . 4.1 . . . . . A . 61 VAL MG1 . . A . 61 VAL HB . . . 61 VAL QG1 . . . . . 61 VAL HB . . rr_1aqa 1 1249 1 . . 1 1 61 61 VAL MG2 H . . . 1 1 61 61 VAL HB H . . . . . . . 3.7 . . . . . A . 61 VAL MG2 . . A . 61 VAL HB . . . 61 VAL QG2 . . . . . 61 VAL HB . . rr_1aqa 1 1250 1 . . 1 1 62 62 GLY H H . . . 1 1 61 61 VAL HB H . . . . . . . 4.3 . . . . . A . 62 GLY H . . A . 61 VAL HB . . . 62 GLY HN . . . . . 61 VAL HB . . rr_1aqa 1 1251 1 . . 1 1 61 61 VAL MG1 H . . . 1 1 62 62 GLY H H . . . . . . . 7.0 . . . . . A . 61 VAL MG1 . . A . 62 GLY H . . . 61 VAL QG1 . . . . . 62 GLY HN . . rr_1aqa 1 1252 1 . . 1 1 61 61 VAL MG1 H . . . 1 1 63 63 HIS H H . . . . . . . 5.4 . . . . . A . 61 VAL MG1 . . A . 63 HIS H . . . 61 VAL QG1 . . . . . 63 HEM HN . . rr_1aqa 1 1253 1 . . 1 1 61 61 VAL MG1 H . . . 1 1 63 63 HIS HA H . . . . . . . 6.7 . . . . . A . 61 VAL MG1 . . A . 63 HIS HA . . . 61 VAL QG1 . . . . . 63 HEM HA . . rr_1aqa 1 1254 1 . . 1 1 61 61 VAL MG2 H . . . 1 1 62 62 GLY H H . . . . . . . 6.5 . . . . . A . 61 VAL MG2 . . A . 62 GLY H . . . 61 VAL QG2 . . . . . 62 GLY HN . . rr_1aqa 1 1255 1 . . 1 1 61 61 VAL MG2 H . . . 1 1 63 63 HIS HA H . . . . . . . 7.0 . . . . . A . 61 VAL MG2 . . A . 63 HIS HA . . . 61 VAL QG2 . . . . . 63 HEM HA . . rr_1aqa 1 1256 1 . . 1 1 62 62 GLY H H . . . 1 1 62 62 GLY HA2 H . . . . . . . 3.7 . . . . . A . 62 GLY H . . A . 62 GLY HA2 . . . 62 GLY HN . . . . . 62 GLY HA1 . . rr_1aqa 1 1257 1 . . 1 1 62 62 GLY H H . . . 1 1 62 62 GLY HA3 H . . . . . . . 3.5 . . . . . A . 62 GLY H . . A . 62 GLY HA3 . . . 62 GLY HN . . . . . 62 GLY HA2 . . rr_1aqa 1 1258 1 . . 1 1 62 62 GLY H H . . . 1 1 63 63 HIS H H . . . . . . . 4.1 . . . . . A . 62 GLY H . . A . 63 HIS H . . . 62 GLY HN . . . . . 63 HEM HN . . rr_1aqa 1 1259 1 . . 1 1 62 62 GLY HA2 H . . . 1 1 63 63 HIS H H . . . . . . . 5.0 . . . . . A . 62 GLY HA2 . . A . 63 HIS H . . . 62 GLY HA1 . . . . . 63 HEM HN . . rr_1aqa 1 1260 1 . . 1 1 62 62 GLY HA3 H . . . 1 1 63 63 HIS H H . . . . . . . 4.4 . . . . . A . 62 GLY HA3 . . A . 63 HIS H . . . 62 GLY HA2 . . . . . 63 HEM HN . . rr_1aqa 1 1261 1 . . 1 1 63 63 HIS HA H . . . 1 1 63 63 HIS H H . . . . . . . 4.6 . . . . . A . 63 HIS HA . . A . 63 HIS H . . . 63 HEM HA . . . . . 63 HEM HN . . rr_1aqa 1 1262 1 OR . 1 1 63 63 HIS H H . . . 1 1 63 63 HIS HB2 H . . . . . . . 4.9 . . . . . A . 63 HIS H . . A . 63 HIS HB2 . . . 63 HEM HN . . . . . 63 HEM QB . . rr_1aqa 1 1262 2 OR . 1 1 63 63 HIS H H . . . 1 1 63 63 HIS HB3 H . . . . . . . 4.9 . . . . . A . 63 HIS H . . A . 63 HIS HB3 . . . 63 HEM HN . . . . . 63 HEM QB . . rr_1aqa 1 1263 1 OR . 1 1 63 63 HIS HA H . . . 1 1 63 63 HIS HB2 H . . . . . . . 5.6 . . . . . A . 63 HIS HA . . A . 63 HIS HB2 . . . 63 HEM HA . . . . . 63 HEM QB . . rr_1aqa 1 1263 2 OR . 1 1 63 63 HIS HA H . . . 1 1 63 63 HIS HB3 H . . . . . . . 5.6 . . . . . A . 63 HIS HA . . A . 63 HIS HB3 . . . 63 HEM HA . . . . . 63 HEM QB . . rr_1aqa 1 1264 1 . . 1 1 63 63 HIS HA H . . . 1 1 63 63 HIS HD2 H . . . . . . . 5.0 . . . . . A . 63 HIS HA . . A . 63 HIS HD2 . . . 63 HEM HA . . . . . 63 HEM HD2 . . rr_1aqa 1 1265 1 . . 1 1 63 63 HIS HA H . . . 1 1 64 64 SER H H . . . . . . . 3.2 . . . . . A . 63 HIS HA . . A . 64 SER H . . . 63 HEM HA . . . . . 64 SER HN . . rr_1aqa 1 1266 1 . . 1 1 63 63 HIS HA H . . . 1 1 64 64 SER HA H . . . . . . . 4.8 . . . . . A . 63 HIS HA . . A . 64 SER HA . . . 63 HEM HA . . . . . 64 SER HA . . rr_1aqa 1 1267 1 . . 1 1 63 63 HIS HA H . . . 1 1 67 67 ALA MB H . . . . . . . 4.3 . . . . . A . 63 HIS HA . . A . 67 ALA MB . . . 63 HEM HA . . . . . 67 ALA QB . . rr_1aqa 1 1268 1 OR . 1 1 64 64 SER H H . . . 1 1 63 63 HIS HB2 H . . . . . . . 7.0 . . . . . A . 64 SER H . . A . 63 HIS HB2 . . . 64 SER HN . . . . . 63 HEM QB . . rr_1aqa 1 1268 2 OR . 1 1 63 63 HIS HB3 H . . . 1 1 64 64 SER H H . . . . . . . 7.0 . . . . . A . 63 HIS HB3 . . A . 64 SER H . . . 63 HEM QB . . . . . 64 SER HN . . rr_1aqa 1 1269 1 OR . 1 1 67 67 ALA MB H . . . 1 1 63 63 HIS HB2 H . . . . . . . 5.7 . . . . . A . 67 ALA MB . . A . 63 HIS HB2 . . . 67 ALA QB . . . . . 63 HEM QB . . rr_1aqa 1 1269 2 OR . 1 1 63 63 HIS HB3 H . . . 1 1 67 67 ALA MB H . . . . . . . 5.7 . . . . . A . 63 HIS HB3 . . A . 67 ALA MB . . . 63 HEM QB . . . . . 67 ALA QB . . rr_1aqa 1 1270 1 OR . 1 1 68 68 ARG HA H . . . 1 1 63 63 HIS HB2 H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 63 HIS HB2 . . . 68 ARG+ HA . . . . . 63 HEM QB . . rr_1aqa 1 1270 2 OR . 1 1 68 68 ARG HA H . . . 1 1 63 63 HIS HB3 H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 63 HIS HB3 . . . 68 ARG+ HA . . . . . 63 HEM QB . . rr_1aqa 1 1271 1 . . 1 1 63 63 HIS HD2 H . . . 1 1 63 63 HIS HE1 H . . . . . . . 3.5 . . . . . A . 63 HIS HD2 . . A . 63 HIS HE1 . . . 63 HEM HD2 . . . . . 63 HEM HE1 . . rr_1aqa 1 1272 1 . . 1 1 63 63 HIS HD2 H . . . 1 1 67 67 ALA MB H . . . . . . . 3.6 . . . . . A . 63 HIS HD2 . . A . 67 ALA MB . . . 63 HEM HD2 . . . . . 67 ALA QB . . rr_1aqa 1 1273 1 . . 1 1 64 64 SER H H . . . 1 1 64 64 SER HA H . . . . . . . 4.3 . . . . . A . 64 SER H . . A . 64 SER HA . . . 64 SER HN . . . . . 64 SER HA . . rr_1aqa 1 1274 1 OR . 1 1 64 64 SER H H . . . 1 1 64 64 SER HB2 H . . . . . . . 4.1 . . . . . A . 64 SER H . . A . 64 SER HB2 . . . 64 SER HN . . . . . 64 SER QB . . rr_1aqa 1 1274 2 OR . 1 1 64 64 SER H H . . . 1 1 64 64 SER HB3 H . . . . . . . 4.1 . . . . . A . 64 SER H . . A . 64 SER HB3 . . . 64 SER HN . . . . . 64 SER QB . . rr_1aqa 1 1275 1 . . 1 1 64 64 SER H H . . . 1 1 67 67 ALA MB H . . . . . . . 3.8 . . . . . A . 64 SER H . . A . 67 ALA MB . . . 64 SER HN . . . . . 67 ALA QB . . rr_1aqa 1 1276 1 . . 1 1 68 68 ARG H H . . . 1 1 64 64 SER H H . . . . . . . 6.0 . . . . . A . 68 ARG H . . A . 64 SER H . . . 68 ARG+ HN . . . . . 64 SER HN . . rr_1aqa 1 1277 1 OR . 1 1 64 64 SER HA H . . . 1 1 64 64 SER HB2 H . . . . . . . 6.2 . . . . . A . 64 SER HA . . A . 64 SER HB2 . . . 64 SER HA . . . . . 64 SER QB . . rr_1aqa 1 1277 2 OR . 1 1 64 64 SER HA H . . . 1 1 64 64 SER HB3 H . . . . . . . 6.2 . . . . . A . 64 SER HA . . A . 64 SER HB3 . . . 64 SER HA . . . . . 64 SER QB . . rr_1aqa 1 1278 1 . . 1 1 64 64 SER HA H . . . 1 1 65 65 THR H H . . . . . . . 4.2 . . . . . A . 64 SER HA . . A . 65 THR H . . . 64 SER HA . . . . . 65 THR HN . . rr_1aqa 1 1279 1 . . 1 1 64 64 SER HA H . . . 1 1 65 65 THR HA H . . . . . . . 5.0 . . . . . A . 64 SER HA . . A . 65 THR HA . . . 64 SER HA . . . . . 65 THR HA . . rr_1aqa 1 1280 1 OR . 1 1 65 65 THR H H . . . 1 1 64 64 SER HB2 H . . . . . . . 7.0 . . . . . A . 65 THR H . . A . 64 SER HB2 . . . 65 THR HN . . . . . 64 SER QB . . rr_1aqa 1 1280 2 OR . 1 1 64 64 SER HB3 H . . . 1 1 65 65 THR H H . . . . . . . 7.0 . . . . . A . 64 SER HB3 . . A . 65 THR H . . . 64 SER QB . . . . . 65 THR HN . . rr_1aqa 1 1281 1 . . 1 1 65 65 THR H H . . . 1 1 65 65 THR HA H . . . . . . . 4.1 . . . . . A . 65 THR H . . A . 65 THR HA . . . 65 THR HN . . . . . 65 THR HA . . rr_1aqa 1 1282 1 . . 1 1 65 65 THR H H . . . 1 1 65 65 THR HB H . . . . . . . 4.3 . . . . . A . 65 THR H . . A . 65 THR HB . . . 65 THR HN . . . . . 65 THR HB . . rr_1aqa 1 1283 1 . . 1 1 65 65 THR H H . . . 1 1 65 65 THR MG H . . . . . . . 4.3 . . . . . A . 65 THR H . . A . 65 THR MG . . . 65 THR HN . . . . . 65 THR QG2 . . rr_1aqa 1 1284 1 OR . 1 1 65 65 THR H H . . . 1 1 66 66 ASP HB2 H . . . . . . . 7.0 . . . . . A . 65 THR H . . A . 66 ASP HB2 . . . 65 THR HN . . . . . 66 ASP- QB . . rr_1aqa 1 1284 2 OR . 1 1 65 65 THR H H . . . 1 1 66 66 ASP HB3 H . . . . . . . 7.0 . . . . . A . 65 THR H . . A . 66 ASP HB3 . . . 65 THR HN . . . . . 66 ASP- QB . . rr_1aqa 1 1285 1 . . 1 1 68 68 ARG H H . . . 1 1 65 65 THR H H . . . . . . . 6.0 . . . . . A . 68 ARG H . . A . 65 THR H . . . 68 ARG+ HN . . . . . 65 THR HN . . rr_1aqa 1 1286 1 . . 1 1 65 65 THR HA H . . . 1 1 65 65 THR HB H . . . . . . . 3.8 . . . . . A . 65 THR HA . . A . 65 THR HB . . . 65 THR HA . . . . . 65 THR HB . . rr_1aqa 1 1287 1 . . 1 1 65 65 THR HA H . . . 1 1 65 65 THR MG H . . . . . . . 3.8 . . . . . A . 65 THR HA . . A . 65 THR MG . . . 65 THR HA . . . . . 65 THR QG2 . . rr_1aqa 1 1288 1 . . 1 1 65 65 THR HA H . . . 1 1 66 66 ASP H H . . . . . . . 5.2 . . . . . A . 65 THR HA . . A . 66 ASP H . . . 65 THR HA . . . . . 66 ASP- HN . . rr_1aqa 1 1289 1 . . 1 1 68 68 ARG H H . . . 1 1 65 65 THR HA H . . . . . . . 5.0 . . . . . A . 68 ARG H . . A . 65 THR HA . . . 68 ARG+ HN . . . . . 65 THR HA . . rr_1aqa 1 1290 1 OR . 1 1 65 65 THR HA H . . . 1 1 68 68 ARG HB2 H . . . . . . . 5.4 . . . . . A . 65 THR HA . . A . 68 ARG HB2 . . . 65 THR HA . . . . . 68 ARG+ QB . . rr_1aqa 1 1290 2 OR . 1 1 65 65 THR HA H . . . 1 1 68 68 ARG HB3 H . . . . . . . 5.4 . . . . . A . 65 THR HA . . A . 68 ARG HB3 . . . 65 THR HA . . . . . 68 ARG+ QB . . rr_1aqa 1 1291 1 . . 1 1 65 65 THR HB H . . . 1 1 65 65 THR MG H . . . . . . . 3.4 . . . . . A . 65 THR HB . . A . 65 THR MG . . . 65 THR HB . . . . . 65 THR QG2 . . rr_1aqa 1 1292 1 . . 1 1 65 65 THR HB H . . . 1 1 66 66 ASP H H . . . . . . . 4.4 . . . . . A . 65 THR HB . . A . 66 ASP H . . . 65 THR HB . . . . . 66 ASP- HN . . rr_1aqa 1 1293 1 . . 1 1 65 65 THR MG H . . . 1 1 66 66 ASP H H . . . . . . . 6.1 . . . . . A . 65 THR MG . . A . 66 ASP H . . . 65 THR QG2 . . . . . 66 ASP- HN . . rr_1aqa 1 1294 1 . . 1 1 68 68 ARG H H . . . 1 1 65 65 THR MG H . . . . . . . 5.4 . . . . . A . 68 ARG H . . A . 65 THR MG . . . 68 ARG+ HN . . . . . 65 THR QG2 . . rr_1aqa 1 1295 1 . . 1 1 68 68 ARG HA H . . . 1 1 65 65 THR MG H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 65 THR MG . . . 68 ARG+ HA . . . . . 65 THR QG2 . . rr_1aqa 1 1296 1 OR . 1 1 65 65 THR MG H . . . 1 1 68 68 ARG HB2 H . . . . . . . 8.0 . . . . . A . 65 THR MG . . A . 68 ARG HB2 . . . 65 THR QG2 . . . . . 68 ARG+ QB . . rr_1aqa 1 1296 2 OR . 1 1 65 65 THR MG H . . . 1 1 68 68 ARG HB3 H . . . . . . . 8.0 . . . . . A . 65 THR MG . . A . 68 ARG HB3 . . . 65 THR QG2 . . . . . 68 ARG+ QB . . rr_1aqa 1 1297 1 . . 1 1 65 65 THR MG H . . . 1 1 69 69 GLU H H . . . . . . . 6.3 . . . . . A . 65 THR MG . . A . 69 GLU H . . . 65 THR QG2 . . . . . 69 GLU- HN . . rr_1aqa 1 1298 1 OR . 1 1 65 65 THR MG H . . . 1 1 69 69 GLU HB2 H . . . . . . . 8.0 . . . . . A . 65 THR MG . . A . 69 GLU HB2 . . . 65 THR QG2 . . . . . 69 GLU- QB . . rr_1aqa 1 1298 2 OR . 1 1 65 65 THR MG H . . . 1 1 69 69 GLU HB3 H . . . . . . . 8.0 . . . . . A . 65 THR MG . . A . 69 GLU HB3 . . . 65 THR QG2 . . . . . 69 GLU- QB . . rr_1aqa 1 1299 1 OR . 1 1 65 65 THR MG H . . . 1 1 69 69 GLU HG2 H . . . . . . . 6.4 . . . . . A . 65 THR MG . . A . 69 GLU HG2 . . . 65 THR QG2 . . . . . 69 GLU- QG . . rr_1aqa 1 1299 2 OR . 1 1 65 65 THR MG H . . . 1 1 69 69 GLU HG3 H . . . . . . . 6.4 . . . . . A . 65 THR MG . . A . 69 GLU HG3 . . . 65 THR QG2 . . . . . 69 GLU- QG . . rr_1aqa 1 1300 1 . . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HA H . . . . . . . 5.8 . . . . . A . 66 ASP H . . A . 66 ASP HA . . . 66 ASP- HN . . . . . 66 ASP- HA . . rr_1aqa 1 1301 1 OR . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HB2 H . . . . . . . 4.8 . . . . . A . 66 ASP H . . A . 66 ASP HB2 . . . 66 ASP- HN . . . . . 66 ASP- QB . . rr_1aqa 1 1301 2 OR . 1 1 66 66 ASP HB3 H . . . 1 1 66 66 ASP H H . . . . . . . 4.8 . . . . . A . 66 ASP HB3 . . A . 66 ASP H . . . 66 ASP- QB . . . . . 66 ASP- HN . . rr_1aqa 1 1302 1 . . 1 1 67 67 ALA H H . . . 1 1 66 66 ASP H H . . . . . . . 4.1 . . . . . A . 67 ALA H . . A . 66 ASP H . . . 67 ALA HN . . . . . 66 ASP- HN . . rr_1aqa 1 1303 1 OR . 1 1 66 66 ASP HA H . . . 1 1 66 66 ASP HB2 H . . . . . . . 5.2 . . . . . A . 66 ASP HA . . A . 66 ASP HB2 . . . 66 ASP- HA . . . . . 66 ASP- QB . . rr_1aqa 1 1303 2 OR . 1 1 66 66 ASP HB3 H . . . 1 1 66 66 ASP HA H . . . . . . . 5.2 . . . . . A . 66 ASP HB3 . . A . 66 ASP HA . . . 66 ASP- QB . . . . . 66 ASP- HA . . rr_1aqa 1 1304 1 . . 1 1 69 69 GLU H H . . . 1 1 66 66 ASP HA H . . . . . . . 5.8 . . . . . A . 69 GLU H . . A . 66 ASP HA . . . 69 GLU- HN . . . . . 66 ASP- HA . . rr_1aqa 1 1305 1 . . 1 1 66 66 ASP HA H . . . 1 1 69 69 GLU HA H . . . . . . . 5.4 . . . . . A . 66 ASP HA . . A . 69 GLU HA . . . 66 ASP- HA . . . . . 69 GLU- HA . . rr_1aqa 1 1306 1 OR . 1 1 66 66 ASP HA H . . . 1 1 69 69 GLU HB2 H . . . . . . . 6.7 . . . . . A . 66 ASP HA . . A . 69 GLU HB2 . . . 66 ASP- HA . . . . . 69 GLU- QB . . rr_1aqa 1 1306 2 OR . 1 1 69 69 GLU HB3 H . . . 1 1 66 66 ASP HA H . . . . . . . 6.7 . . . . . A . 69 GLU HB3 . . A . 66 ASP HA . . . 69 GLU- QB . . . . . 66 ASP- HA . . rr_1aqa 1 1307 1 OR . 1 1 66 66 ASP HA H . . . 1 1 69 69 GLU HG2 H . . . . . . . 7.0 . . . . . A . 66 ASP HA . . A . 69 GLU HG2 . . . 66 ASP- HA . . . . . 69 GLU- QG . . rr_1aqa 1 1307 2 OR . 1 1 69 69 GLU HG3 H . . . 1 1 66 66 ASP HA H . . . . . . . 7.0 . . . . . A . 69 GLU HG3 . . A . 66 ASP HA . . . 69 GLU- QG . . . . . 66 ASP- HA . . rr_1aqa 1 1308 1 OR . 1 1 67 67 ALA H H . . . 1 1 66 66 ASP HB2 H . . . . . . . 5.5 . . . . . A . 67 ALA H . . A . 66 ASP HB2 . . . 67 ALA HN . . . . . 66 ASP- QB . . rr_1aqa 1 1308 2 OR . 1 1 67 67 ALA H H . . . 1 1 66 66 ASP HB3 H . . . . . . . 5.5 . . . . . A . 67 ALA H . . A . 66 ASP HB3 . . . 67 ALA HN . . . . . 66 ASP- QB . . rr_1aqa 1 1309 1 . . 1 1 67 67 ALA H H . . . 1 1 67 67 ALA HA H . . . . . . . 6.0 . . . . . A . 67 ALA H . . A . 67 ALA HA . . . 67 ALA HN . . . . . 67 ALA HA . . rr_1aqa 1 1310 1 . . 1 1 67 67 ALA MB H . . . 1 1 67 67 ALA H H . . . . . . . 3.4 . . . . . A . 67 ALA MB . . A . 67 ALA H . . . 67 ALA QB . . . . . 67 ALA HN . . rr_1aqa 1 1311 1 . . 1 1 68 68 ARG H H . . . 1 1 67 67 ALA H H . . . . . . . 4.0 . . . . . A . 68 ARG H . . A . 67 ALA H . . . 68 ARG+ HN . . . . . 67 ALA HN . . rr_1aqa 1 1312 1 . . 1 1 67 67 ALA MB H . . . 1 1 67 67 ALA HA H . . . . . . . 4.5 . . . . . A . 67 ALA MB . . A . 67 ALA HA . . . 67 ALA QB . . . . . 67 ALA HA . . rr_1aqa 1 1313 1 . . 1 1 67 67 ALA HA H . . . 1 1 70 70 LEU H H . . . . . . . 6.0 . . . . . A . 67 ALA HA . . A . 70 LEU H . . . 67 ALA HA . . . . . 70 LEU HN . . rr_1aqa 1 1314 1 . . 1 1 67 67 ALA HA H . . . 1 1 70 70 LEU HB3 H . . . . . . . 5.7 . . . . . A . 67 ALA HA . . A . 70 LEU HB3 . . . 67 ALA HA . . . . . 70 LEU HB3 . . rr_1aqa 1 1315 1 . . 1 1 67 67 ALA HA H . . . 1 1 71 71 SER H H . . . . . . . 6.0 . . . . . A . 67 ALA HA . . A . 71 SER H . . . 67 ALA HA . . . . . 71 SER HN . . rr_1aqa 1 1316 1 . . 1 1 68 68 ARG H H . . . 1 1 67 67 ALA MB H . . . . . . . 3.4 . . . . . A . 68 ARG H . . A . 67 ALA MB . . . 68 ARG+ HN . . . . . 67 ALA QB . . rr_1aqa 1 1317 1 . . 1 1 70 70 LEU MD2 H . . . 1 1 67 67 ALA MB H . . . . . . . 8.0 . . . . . A . 70 LEU MD2 . . A . 67 ALA MB . . . 70 LEU QD2 . . . . . 67 ALA QB . . rr_1aqa 1 1318 1 . . 1 1 68 68 ARG H H . . . 1 1 68 68 ARG HA H . . . . . . . 4.4 . . . . . A . 68 ARG H . . A . 68 ARG HA . . . 68 ARG+ HN . . . . . 68 ARG+ HA . . rr_1aqa 1 1319 1 OR . 1 1 68 68 ARG H H . . . 1 1 68 68 ARG HB2 H . . . . . . . 4.9 . . . . . A . 68 ARG H . . A . 68 ARG HB2 . . . 68 ARG+ HN . . . . . 68 ARG+ QB . . rr_1aqa 1 1319 2 OR . 1 1 68 68 ARG H H . . . 1 1 68 68 ARG HB3 H . . . . . . . 4.9 . . . . . A . 68 ARG H . . A . 68 ARG HB3 . . . 68 ARG+ HN . . . . . 68 ARG+ QB . . rr_1aqa 1 1320 1 . . 1 1 68 68 ARG H H . . . 1 1 69 69 GLU H H . . . . . . . 3.8 . . . . . A . 68 ARG H . . A . 69 GLU H . . . 68 ARG+ HN . . . . . 69 GLU- HN . . rr_1aqa 1 1321 1 . . 1 1 68 68 ARG H H . . . 1 1 70 70 LEU H H . . . . . . . 5.3 . . . . . A . 68 ARG H . . A . 70 LEU H . . . 68 ARG+ HN . . . . . 70 LEU HN . . rr_1aqa 1 1322 1 OR . 1 1 68 68 ARG HA H . . . 1 1 68 68 ARG HB2 H . . . . . . . 4.9 . . . . . A . 68 ARG HA . . A . 68 ARG HB2 . . . 68 ARG+ HA . . . . . 68 ARG+ QB . . rr_1aqa 1 1322 2 OR . 1 1 68 68 ARG HA H . . . 1 1 68 68 ARG HB3 H . . . . . . . 4.9 . . . . . A . 68 ARG HA . . A . 68 ARG HB3 . . . 68 ARG+ HA . . . . . 68 ARG+ QB . . rr_1aqa 1 1323 1 . . 1 1 68 68 ARG HA H . . . 1 1 69 69 GLU H H . . . . . . . 4.3 . . . . . A . 68 ARG HA . . A . 69 GLU H . . . 68 ARG+ HA . . . . . 69 GLU- HN . . rr_1aqa 1 1324 1 . . 1 1 68 68 ARG HA H . . . 1 1 69 69 GLU HA H . . . . . . . 5.2 . . . . . A . 68 ARG HA . . A . 69 GLU HA . . . 68 ARG+ HA . . . . . 69 GLU- HA . . rr_1aqa 1 1325 1 OR . 1 1 68 68 ARG HA H . . . 1 1 69 69 GLU HG2 H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 69 GLU HG2 . . . 68 ARG+ HA . . . . . 69 GLU- QG . . rr_1aqa 1 1325 2 OR . 1 1 68 68 ARG HA H . . . 1 1 69 69 GLU HG3 H . . . . . . . 7.0 . . . . . A . 68 ARG HA . . A . 69 GLU HG3 . . . 68 ARG+ HA . . . . . 69 GLU- QG . . rr_1aqa 1 1326 1 . . 1 1 68 68 ARG HA H . . . 1 1 70 70 LEU H H . . . . . . . 6.0 . . . . . A . 68 ARG HA . . A . 70 LEU H . . . 68 ARG+ HA . . . . . 70 LEU HN . . rr_1aqa 1 1327 1 . . 1 1 68 68 ARG HA H . . . 1 1 71 71 SER H H . . . . . . . 6.0 . . . . . A . 68 ARG HA . . A . 71 SER H . . . 68 ARG+ HA . . . . . 71 SER HN . . rr_1aqa 1 1328 1 . . 1 1 71 71 SER HA H . . . 1 1 68 68 ARG HA H . . . . . . . 4.9 . . . . . A . 71 SER HA . . A . 68 ARG HA . . . 71 SER HA . . . . . 68 ARG+ HA . . rr_1aqa 1 1329 1 OR . 1 1 68 68 ARG HA H . . . 1 1 71 71 SER HB2 H . . . . . . . 5.8 . . . . . A . 68 ARG HA . . A . 71 SER HB2 . . . 68 ARG+ HA . . . . . 71 SER QB . . rr_1aqa 1 1329 2 OR . 1 1 71 71 SER HB3 H . . . 1 1 68 68 ARG HA H . . . . . . . 5.8 . . . . . A . 71 SER HB3 . . A . 68 ARG HA . . . 71 SER QB . . . . . 68 ARG+ HA . . rr_1aqa 1 1330 1 OR . 1 1 69 69 GLU H H . . . 1 1 68 68 ARG HB2 H . . . . . . . 5.5 . . . . . A . 69 GLU H . . A . 68 ARG HB2 . . . 69 GLU- HN . . . . . 68 ARG+ QB . . rr_1aqa 1 1330 2 OR . 1 1 68 68 ARG HB3 H . . . 1 1 69 69 GLU H H . . . . . . . 5.5 . . . . . A . 68 ARG HB3 . . A . 69 GLU H . . . 68 ARG+ QB . . . . . 69 GLU- HN . . rr_1aqa 1 1331 1 OR . 1 1 68 68 ARG HB2 H . . . 1 1 69 69 GLU HG2 H . . . . . . . 8.0 . . . . . A . 68 ARG HB2 . . A . 69 GLU HG2 . . . 68 ARG+ QB . . . . . 69 GLU- QG . . rr_1aqa 1 1331 2 OR . 1 1 68 68 ARG HB3 H . . . 1 1 69 69 GLU HG2 H . . . . . . . 8.0 . . . . . A . 68 ARG HB3 . . A . 69 GLU HG2 . . . 68 ARG+ QB . . . . . 69 GLU- QG . . rr_1aqa 1 1331 3 OR . 1 1 69 69 GLU HG3 H . . . 1 1 68 68 ARG HB2 H . . . . . . . 8.0 . . . . . A . 69 GLU HG3 . . A . 68 ARG HB2 . . . 69 GLU- QG . . . . . 68 ARG+ QB . . rr_1aqa 1 1331 4 OR . 1 1 68 68 ARG HB3 H . . . 1 1 69 69 GLU HG3 H . . . . . . . 8.0 . . . . . A . 68 ARG HB3 . . A . 69 GLU HG3 . . . 68 ARG+ QB . . . . . 69 GLU- QG . . rr_1aqa 1 1332 1 . . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HA H . . . . . . . 3.9 . . . . . A . 69 GLU H . . A . 69 GLU HA . . . 69 GLU- HN . . . . . 69 GLU- HA . . rr_1aqa 1 1333 1 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB2 H . . . . . . . 4.2 . . . . . A . 69 GLU H . . A . 69 GLU HB2 . . . 69 GLU- HN . . . . . 69 GLU- QB . . rr_1aqa 1 1333 2 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HB3 H . . . . . . . 4.2 . . . . . A . 69 GLU H . . A . 69 GLU HB3 . . . 69 GLU- HN . . . . . 69 GLU- QB . . rr_1aqa 1 1334 1 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG2 H . . . . . . . 5.7 . . . . . A . 69 GLU H . . A . 69 GLU HG2 . . . 69 GLU- HN . . . . . 69 GLU- QG . . rr_1aqa 1 1334 2 OR . 1 1 69 69 GLU H H . . . 1 1 69 69 GLU HG3 H . . . . . . . 5.7 . . . . . A . 69 GLU H . . A . 69 GLU HG3 . . . 69 GLU- HN . . . . . 69 GLU- QG . . rr_1aqa 1 1335 1 . . 1 1 69 69 GLU H H . . . 1 1 70 70 LEU H H . . . . . . . 3.9 . . . . . A . 69 GLU H . . A . 70 LEU H . . . 69 GLU- HN . . . . . 70 LEU HN . . rr_1aqa 1 1336 1 OR . 1 1 69 69 GLU HA H . . . 1 1 69 69 GLU HB2 H . . . . . . . 4.3 . . . . . A . 69 GLU HA . . A . 69 GLU HB2 . . . 69 GLU- HA . . . . . 69 GLU- QB . . rr_1aqa 1 1336 2 OR . 1 1 69 69 GLU HB3 H . . . 1 1 69 69 GLU HA H . . . . . . . 4.3 . . . . . A . 69 GLU HB3 . . A . 69 GLU HA . . . 69 GLU- QB . . . . . 69 GLU- HA . . rr_1aqa 1 1337 1 OR . 1 1 69 69 GLU HA H . . . 1 1 69 69 GLU HG2 H . . . . . . . 5.2 . . . . . A . 69 GLU HA . . A . 69 GLU HG2 . . . 69 GLU- HA . . . . . 69 GLU- QG . . rr_1aqa 1 1337 2 OR . 1 1 69 69 GLU HG3 H . . . 1 1 69 69 GLU HA H . . . . . . . 5.2 . . . . . A . 69 GLU HG3 . . A . 69 GLU HA . . . 69 GLU- QG . . . . . 69 GLU- HA . . rr_1aqa 1 1338 1 . . 1 1 69 69 GLU HA H . . . 1 1 70 70 LEU H H . . . . . . . 4.7 . . . . . A . 69 GLU HA . . A . 70 LEU H . . . 69 GLU- HA . . . . . 70 LEU HN . . rr_1aqa 1 1339 1 . . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS H H . . . . . . . 5.6 . . . . . A . 69 GLU HA . . A . 72 LYS H . . . 69 GLU- HA . . . . . 72 LYS+ HN . . rr_1aqa 1 1340 1 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HB2 H . . . . . . . 7.0 . . . . . A . 69 GLU HA . . A . 72 LYS HB2 . . . 69 GLU- HA . . . . . 72 LYS+ QB . . rr_1aqa 1 1340 2 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HB3 H . . . . . . . 7.0 . . . . . A . 69 GLU HA . . A . 72 LYS HB3 . . . 69 GLU- HA . . . . . 72 LYS+ QB . . rr_1aqa 1 1341 1 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HG2 H . . . . . . . 6.1 . . . . . A . 69 GLU HA . . A . 72 LYS HG2 . . . 69 GLU- HA . . . . . 72 LYS+ QG . . rr_1aqa 1 1341 2 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HG3 H . . . . . . . 6.1 . . . . . A . 69 GLU HA . . A . 72 LYS HG3 . . . 69 GLU- HA . . . . . 72 LYS+ QG . . rr_1aqa 1 1342 1 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HD2 H . . . . . . . 7.0 . . . . . A . 69 GLU HA . . A . 72 LYS HD2 . . . 69 GLU- HA . . . . . 72 LYS+ QD . . rr_1aqa 1 1342 2 OR . 1 1 69 69 GLU HA H . . . 1 1 72 72 LYS HD3 H . . . . . . . 7.0 . . . . . A . 69 GLU HA . . A . 72 LYS HD3 . . . 69 GLU- HA . . . . . 72 LYS+ QD . . rr_1aqa 1 1343 1 . . 1 1 69 69 GLU HA H . . . 1 1 73 73 THR H H . . . . . . . 6.0 . . . . . A . 69 GLU HA . . A . 73 THR H . . . 69 GLU- HA . . . . . 73 THR HN . . rr_1aqa 1 1344 1 OR . 1 1 69 69 GLU HB2 H . . . 1 1 69 69 GLU HG2 H . . . . . . . 6.6 . . . . . A . 69 GLU HB2 . . A . 69 GLU HG2 . . . 69 GLU- QB . . . . . 69 GLU- QG . . rr_1aqa 1 1344 2 OR . 1 1 69 69 GLU HB3 H . . . 1 1 69 69 GLU HG2 H . . . . . . . 6.6 . . . . . A . 69 GLU HB3 . . A . 69 GLU HG2 . . . 69 GLU- QB . . . . . 69 GLU- QG . . rr_1aqa 1 1344 3 OR . 1 1 69 69 GLU HG3 H . . . 1 1 69 69 GLU HB2 H . . . . . . . 6.6 . . . . . A . 69 GLU HG3 . . A . 69 GLU HB2 . . . 69 GLU- QG . . . . . 69 GLU- QB . . rr_1aqa 1 1344 4 OR . 1 1 69 69 GLU HB3 H . . . 1 1 69 69 GLU HG3 H . . . . . . . 6.6 . . . . . A . 69 GLU HB3 . . A . 69 GLU HG3 . . . 69 GLU- QB . . . . . 69 GLU- QG . . rr_1aqa 1 1345 1 OR . 1 1 70 70 LEU H H . . . 1 1 69 69 GLU HB2 H . . . . . . . 4.6 . . . . . A . 70 LEU H . . A . 69 GLU HB2 . . . 70 LEU HN . . . . . 69 GLU- QB . . rr_1aqa 1 1345 2 OR . 1 1 69 69 GLU HB3 H . . . 1 1 70 70 LEU H H . . . . . . . 4.6 . . . . . A . 69 GLU HB3 . . A . 70 LEU H . . . 69 GLU- QB . . . . . 70 LEU HN . . rr_1aqa 1 1346 1 OR . 1 1 69 69 GLU HG3 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 8.0 . . . . . A . 69 GLU HG3 . . A . 72 LYS HG2 . . . 69 GLU- QG . . . . . 72 LYS+ QG . . rr_1aqa 1 1346 2 OR . 1 1 69 69 GLU HG2 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 8.0 . . . . . A . 69 GLU HG2 . . A . 72 LYS HG2 . . . 69 GLU- QG . . . . . 72 LYS+ QG . . rr_1aqa 1 1346 3 OR . 1 1 72 72 LYS HG3 H . . . 1 1 69 69 GLU HG2 H . . . . . . . 8.0 . . . . . A . 72 LYS HG3 . . A . 69 GLU HG2 . . . 72 LYS+ QG . . . . . 69 GLU- QG . . rr_1aqa 1 1346 4 OR . 1 1 69 69 GLU HG3 H . . . 1 1 72 72 LYS HG3 H . . . . . . . 8.0 . . . . . A . 69 GLU HG3 . . A . 72 LYS HG3 . . . 69 GLU- QG . . . . . 72 LYS+ QG . . rr_1aqa 1 1347 1 . . 1 1 70 70 LEU H H . . . 1 1 70 70 LEU HA H . . . . . . . 4.1 . . . . . A . 70 LEU H . . A . 70 LEU HA . . . 70 LEU HN . . . . . 70 LEU HA . . rr_1aqa 1 1348 1 . . 1 1 70 70 LEU HB2 H . . . 1 1 70 70 LEU H H . . . . . . . 5.2 . . . . . A . 70 LEU HB2 . . A . 70 LEU H . . . 70 LEU HB2 . . . . . 70 LEU HN . . rr_1aqa 1 1349 1 . . 1 1 70 70 LEU HB3 H . . . 1 1 70 70 LEU H H . . . . . . . 3.5 . . . . . A . 70 LEU HB3 . . A . 70 LEU H . . . 70 LEU HB3 . . . . . 70 LEU HN . . rr_1aqa 1 1350 1 . . 1 1 70 70 LEU HG H . . . 1 1 70 70 LEU H H . . . . . . . 6.0 . . . . . A . 70 LEU HG . . A . 70 LEU H . . . 70 LEU HG . . . . . 70 LEU HN . . rr_1aqa 1 1351 1 . . 1 1 70 70 LEU H H . . . 1 1 71 71 SER H H . . . . . . . 4.0 . . . . . A . 70 LEU H . . A . 71 SER H . . . 70 LEU HN . . . . . 71 SER HN . . rr_1aqa 1 1352 1 . . 1 1 70 70 LEU HB2 H . . . 1 1 70 70 LEU HA H . . . . . . . 4.2 . . . . . A . 70 LEU HB2 . . A . 70 LEU HA . . . 70 LEU HB2 . . . . . 70 LEU HA . . rr_1aqa 1 1353 1 . . 1 1 70 70 LEU HB3 H . . . 1 1 70 70 LEU HA H . . . . . . . 4.4 . . . . . A . 70 LEU HB3 . . A . 70 LEU HA . . . 70 LEU HB3 . . . . . 70 LEU HA . . rr_1aqa 1 1354 1 . . 1 1 70 70 LEU HG H . . . 1 1 70 70 LEU HA H . . . . . . . 6.0 . . . . . A . 70 LEU HG . . A . 70 LEU HA . . . 70 LEU HG . . . . . 70 LEU HA . . rr_1aqa 1 1355 1 . . 1 1 71 71 SER H H . . . 1 1 70 70 LEU HA H . . . . . . . 4.9 . . . . . A . 71 SER H . . A . 70 LEU HA . . . 71 SER HN . . . . . 70 LEU HA . . rr_1aqa 1 1356 1 OR . 1 1 70 70 LEU HA H . . . 1 1 71 71 SER HB2 H . . . . . . . 6.1 . . . . . A . 70 LEU HA . . A . 71 SER HB2 . . . 70 LEU HA . . . . . 71 SER QB . . rr_1aqa 1 1356 2 OR . 1 1 71 71 SER HB3 H . . . 1 1 70 70 LEU HA H . . . . . . . 6.1 . . . . . A . 71 SER HB3 . . A . 70 LEU HA . . . 71 SER QB . . . . . 70 LEU HA . . rr_1aqa 1 1357 1 . . 1 1 70 70 LEU HG H . . . 1 1 70 70 LEU HB2 H . . . . . . . 4.6 . . . . . A . 70 LEU HG . . A . 70 LEU HB2 . . . 70 LEU HG . . . . . 70 LEU HB2 . . rr_1aqa 1 1358 1 . . 1 1 70 70 LEU HB2 H . . . 1 1 70 70 LEU MD1 H . . . . . . . 4.2 . . . . . A . 70 LEU HB2 . . A . 70 LEU MD1 . . . 70 LEU HB2 . . . . . 70 LEU QD1 . . rr_1aqa 1 1359 1 . . 1 1 70 70 LEU HB2 H . . . 1 1 71 71 SER H H . . . . . . . 4.4 . . . . . A . 70 LEU HB2 . . A . 71 SER H . . . 70 LEU HB2 . . . . . 71 SER HN . . rr_1aqa 1 1360 1 . . 1 1 70 70 LEU HG H . . . 1 1 70 70 LEU HB3 H . . . . . . . 4.4 . . . . . A . 70 LEU HG . . A . 70 LEU HB3 . . . 70 LEU HG . . . . . 70 LEU HB3 . . rr_1aqa 1 1361 1 . . 1 1 70 70 LEU HB3 H . . . 1 1 71 71 SER H H . . . . . . . 4.0 . . . . . A . 70 LEU HB3 . . A . 71 SER H . . . 70 LEU HB3 . . . . . 71 SER HN . . rr_1aqa 1 1362 1 . . 1 1 70 70 LEU HB3 H . . . 1 1 73 73 THR HB H . . . . . . . 6.0 . . . . . A . 70 LEU HB3 . . A . 73 THR HB . . . 70 LEU HB3 . . . . . 73 THR HB . . rr_1aqa 1 1363 1 . . 1 1 70 70 LEU HG H . . . 1 1 70 70 LEU MD1 H . . . . . . . 4.4 . . . . . A . 70 LEU HG . . A . 70 LEU MD1 . . . 70 LEU HG . . . . . 70 LEU QD1 . . rr_1aqa 1 1364 1 . . 1 1 70 70 LEU MD2 H . . . 1 1 70 70 LEU HG H . . . . . . . 4.4 . . . . . A . 70 LEU MD2 . . A . 70 LEU HG . . . 70 LEU QD2 . . . . . 70 LEU HG . . rr_1aqa 1 1365 1 . . 1 1 70 70 LEU HG H . . . 1 1 71 71 SER H H . . . . . . . 6.0 . . . . . A . 70 LEU HG . . A . 71 SER H . . . 70 LEU HG . . . . . 71 SER HN . . rr_1aqa 1 1366 1 . . 1 1 74 74 TYR CZ C . . . 1 1 70 70 LEU HG H . . . . . . . 8.0 . . . . . A . 74 TYR CZ . . A . 70 LEU HG . . . 74 TYR CZ . . . . . 70 LEU HG . . rr_1aqa 1 1367 1 . . 1 1 74 74 TYR CG C . . . 1 1 70 70 LEU MD2 H . . . . . . . 7.6 . . . . . A . 74 TYR CG . . A . 70 LEU MD2 . . . 74 TYR CG . . . . . 70 LEU QD2 . . rr_1aqa 1 1368 1 . . 1 1 71 71 SER HA H . . . 1 1 71 71 SER H H . . . . . . . 3.9 . . . . . A . 71 SER HA . . A . 71 SER H . . . 71 SER HA . . . . . 71 SER HN . . rr_1aqa 1 1369 1 OR . 1 1 71 71 SER H H . . . 1 1 71 71 SER HB2 H . . . . . . . 5.3 . . . . . A . 71 SER H . . A . 71 SER HB2 . . . 71 SER HN . . . . . 71 SER QB . . rr_1aqa 1 1369 2 OR . 1 1 71 71 SER HB3 H . . . 1 1 71 71 SER H H . . . . . . . 5.3 . . . . . A . 71 SER HB3 . . A . 71 SER H . . . 71 SER QB . . . . . 71 SER HN . . rr_1aqa 1 1370 1 . . 1 1 71 71 SER H H . . . 1 1 72 72 LYS H H . . . . . . . 4.2 . . . . . A . 71 SER H . . A . 72 LYS H . . . 71 SER HN . . . . . 72 LYS+ HN . . rr_1aqa 1 1371 1 OR . 1 1 71 71 SER HA H . . . 1 1 71 71 SER HB2 H . . . . . . . 5.7 . . . . . A . 71 SER HA . . A . 71 SER HB2 . . . 71 SER HA . . . . . 71 SER QB . . rr_1aqa 1 1371 2 OR . 1 1 71 71 SER HA H . . . 1 1 71 71 SER HB3 H . . . . . . . 5.7 . . . . . A . 71 SER HA . . A . 71 SER HB3 . . . 71 SER HA . . . . . 71 SER QB . . rr_1aqa 1 1372 1 . . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HA H . . . . . . . 3.9 . . . . . A . 72 LYS H . . A . 72 LYS HA . . . 72 LYS+ HN . . . . . 72 LYS+ HA . . rr_1aqa 1 1373 1 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HB2 H . . . . . . . 4.3 . . . . . A . 72 LYS H . . A . 72 LYS HB2 . . . 72 LYS+ HN . . . . . 72 LYS+ QB . . rr_1aqa 1 1373 2 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HB3 H . . . . . . . 4.3 . . . . . A . 72 LYS H . . A . 72 LYS HB3 . . . 72 LYS+ HN . . . . . 72 LYS+ QB . . rr_1aqa 1 1374 1 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HG2 H . . . . . . . 5.2 . . . . . A . 72 LYS H . . A . 72 LYS HG2 . . . 72 LYS+ HN . . . . . 72 LYS+ QG . . rr_1aqa 1 1374 2 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HG3 H . . . . . . . 5.2 . . . . . A . 72 LYS H . . A . 72 LYS HG3 . . . 72 LYS+ HN . . . . . 72 LYS+ QG . . rr_1aqa 1 1375 1 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HD2 H . . . . . . . 5.7 . . . . . A . 72 LYS H . . A . 72 LYS HD2 . . . 72 LYS+ HN . . . . . 72 LYS+ QD . . rr_1aqa 1 1375 2 OR . 1 1 72 72 LYS H H . . . 1 1 72 72 LYS HD3 H . . . . . . . 5.7 . . . . . A . 72 LYS H . . A . 72 LYS HD3 . . . 72 LYS+ HN . . . . . 72 LYS+ QD . . rr_1aqa 1 1376 1 . . 1 1 72 72 LYS H H . . . 1 1 73 73 THR H H . . . . . . . 4.0 . . . . . A . 72 LYS H . . A . 73 THR H . . . 72 LYS+ HN . . . . . 73 THR HN . . rr_1aqa 1 1377 1 OR . 1 1 72 72 LYS HA H . . . 1 1 72 72 LYS HB2 H . . . . . . . 4.6 . . . . . A . 72 LYS HA . . A . 72 LYS HB2 . . . 72 LYS+ HA . . . . . 72 LYS+ QB . . rr_1aqa 1 1377 2 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HA H . . . . . . . 4.6 . . . . . A . 72 LYS HB3 . . A . 72 LYS HA . . . 72 LYS+ QB . . . . . 72 LYS+ HA . . rr_1aqa 1 1378 1 OR . 1 1 72 72 LYS HA H . . . 1 1 72 72 LYS HG2 H . . . . . . . 5.5 . . . . . A . 72 LYS HA . . A . 72 LYS HG2 . . . 72 LYS+ HA . . . . . 72 LYS+ QG . . rr_1aqa 1 1378 2 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HA H . . . . . . . 5.5 . . . . . A . 72 LYS HG3 . . A . 72 LYS HA . . . 72 LYS+ QG . . . . . 72 LYS+ HA . . rr_1aqa 1 1379 1 OR . 1 1 72 72 LYS HA H . . . 1 1 72 72 LYS HD2 H . . . . . . . 5.2 . . . . . A . 72 LYS HA . . A . 72 LYS HD2 . . . 72 LYS+ HA . . . . . 72 LYS+ QD . . rr_1aqa 1 1379 2 OR . 1 1 72 72 LYS HD3 H . . . 1 1 72 72 LYS HA H . . . . . . . 5.2 . . . . . A . 72 LYS HD3 . . A . 72 LYS HA . . . 72 LYS+ QD . . . . . 72 LYS+ HA . . rr_1aqa 1 1380 1 OR . 1 1 72 72 LYS HA H . . . 1 1 72 72 LYS HE2 H . . . . . . . 5.6 . . . . . A . 72 LYS HA . . A . 72 LYS HE2 . . . 72 LYS+ HA . . . . . 72 LYS+ QE . . rr_1aqa 1 1380 2 OR . 1 1 72 72 LYS HA H . . . 1 1 72 72 LYS HE3 H . . . . . . . 5.6 . . . . . A . 72 LYS HA . . A . 72 LYS HE3 . . . 72 LYS+ HA . . . . . 72 LYS+ QE . . rr_1aqa 1 1381 1 . . 1 1 73 73 THR H H . . . 1 1 72 72 LYS HA H . . . . . . . 4.2 . . . . . A . 73 THR H . . A . 72 LYS HA . . . 73 THR HN . . . . . 72 LYS+ HA . . rr_1aqa 1 1382 1 . . 1 1 72 72 LYS HA H . . . 1 1 73 73 THR MG H . . . . . . . 6.1 . . . . . A . 72 LYS HA . . A . 73 THR MG . . . 72 LYS+ HA . . . . . 73 THR QG2 . . rr_1aqa 1 1383 1 . . 1 1 75 75 ILE H H . . . 1 1 72 72 LYS HA H . . . . . . . 5.6 . . . . . A . 75 ILE H . . A . 72 LYS HA . . . 75 ILE HN . . . . . 72 LYS+ HA . . rr_1aqa 1 1384 1 OR . 1 1 72 72 LYS HA H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.0 . . . . . A . 72 LYS HA . . A . 75 ILE HG12 . . . 72 LYS+ HA . . . . . 75 ILE QG1 . . rr_1aqa 1 1384 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 72 72 LYS HA H . . . . . . . 7.0 . . . . . A . 75 ILE HG13 . . A . 72 LYS HA . . . 75 ILE QG1 . . . . . 72 LYS+ HA . . rr_1aqa 1 1385 1 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 6.0 . . . . . A . 72 LYS HB3 . . A . 72 LYS HG2 . . . 72 LYS+ QB . . . . . 72 LYS+ QG . . rr_1aqa 1 1385 2 OR . 1 1 72 72 LYS HB2 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 6.0 . . . . . A . 72 LYS HB2 . . A . 72 LYS HG2 . . . 72 LYS+ QB . . . . . 72 LYS+ QG . . rr_1aqa 1 1385 3 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HB2 H . . . . . . . 6.0 . . . . . A . 72 LYS HG3 . . A . 72 LYS HB2 . . . 72 LYS+ QG . . . . . 72 LYS+ QB . . rr_1aqa 1 1385 4 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HG3 H . . . . . . . 6.0 . . . . . A . 72 LYS HB3 . . A . 72 LYS HG3 . . . 72 LYS+ QB . . . . . 72 LYS+ QG . . rr_1aqa 1 1386 1 OR . 1 1 72 72 LYS HB2 H . . . 1 1 72 72 LYS HD2 H . . . . . . . 6.8 . . . . . A . 72 LYS HB2 . . A . 72 LYS HD2 . . . 72 LYS+ QB . . . . . 72 LYS+ QD . . rr_1aqa 1 1386 2 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HD2 H . . . . . . . 6.8 . . . . . A . 72 LYS HB3 . . A . 72 LYS HD2 . . . 72 LYS+ QB . . . . . 72 LYS+ QD . . rr_1aqa 1 1386 3 OR . 1 1 72 72 LYS HD3 H . . . 1 1 72 72 LYS HB2 H . . . . . . . 6.8 . . . . . A . 72 LYS HD3 . . A . 72 LYS HB2 . . . 72 LYS+ QD . . . . . 72 LYS+ QB . . rr_1aqa 1 1386 4 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HD3 H . . . . . . . 6.8 . . . . . A . 72 LYS HB3 . . A . 72 LYS HD3 . . . 72 LYS+ QB . . . . . 72 LYS+ QD . . rr_1aqa 1 1387 1 OR . 1 1 72 72 LYS HB2 H . . . 1 1 72 72 LYS HE2 H . . . . . . . 7.7 . . . . . A . 72 LYS HB2 . . A . 72 LYS HE2 . . . 72 LYS+ QB . . . . . 72 LYS+ QE . . rr_1aqa 1 1387 2 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HE2 H . . . . . . . 7.7 . . . . . A . 72 LYS HB3 . . A . 72 LYS HE2 . . . 72 LYS+ QB . . . . . 72 LYS+ QE . . rr_1aqa 1 1387 3 OR . 1 1 72 72 LYS HE3 H . . . 1 1 72 72 LYS HB2 H . . . . . . . 7.7 . . . . . A . 72 LYS HE3 . . A . 72 LYS HB2 . . . 72 LYS+ QE . . . . . 72 LYS+ QB . . rr_1aqa 1 1387 4 OR . 1 1 72 72 LYS HB3 H . . . 1 1 72 72 LYS HE3 H . . . . . . . 7.7 . . . . . A . 72 LYS HB3 . . A . 72 LYS HE3 . . . 72 LYS+ QB . . . . . 72 LYS+ QE . . rr_1aqa 1 1388 1 OR . 1 1 73 73 THR H H . . . 1 1 72 72 LYS HB2 H . . . . . . . 5.4 . . . . . A . 73 THR H . . A . 72 LYS HB2 . . . 73 THR HN . . . . . 72 LYS+ QB . . rr_1aqa 1 1388 2 OR . 1 1 72 72 LYS HB3 H . . . 1 1 73 73 THR H H . . . . . . . 5.4 . . . . . A . 72 LYS HB3 . . A . 73 THR H . . . 72 LYS+ QB . . . . . 73 THR HN . . rr_1aqa 1 1389 1 OR . 1 1 74 74 TYR CG C . . . 1 1 72 72 LYS HB2 H . . . . . . . 9.0 . . . . . A . 74 TYR CG . . A . 72 LYS HB2 . . . 74 TYR CG . . . . . 72 LYS+ QB . . rr_1aqa 1 1389 2 OR . 1 1 74 74 TYR CG C . . . 1 1 72 72 LYS HB3 H . . . . . . . 9.0 . . . . . A . 74 TYR CG . . A . 72 LYS HB3 . . . 74 TYR CG . . . . . 72 LYS+ QB . . rr_1aqa 1 1390 1 OR . 1 1 74 74 TYR CZ C . . . 1 1 72 72 LYS HB2 H . . . . . . . 9.0 . . . . . A . 74 TYR CZ . . A . 72 LYS HB2 . . . 74 TYR CZ . . . . . 72 LYS+ QB . . rr_1aqa 1 1390 2 OR . 1 1 74 74 TYR CZ C . . . 1 1 72 72 LYS HB3 H . . . . . . . 9.0 . . . . . A . 74 TYR CZ . . A . 72 LYS HB3 . . . 74 TYR CZ . . . . . 72 LYS+ QB . . rr_1aqa 1 1391 1 OR . 1 1 72 72 LYS HD2 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 5.5 . . . . . A . 72 LYS HD2 . . A . 72 LYS HG2 . . . 72 LYS+ QD . . . . . 72 LYS+ QG . . rr_1aqa 1 1391 2 OR . 1 1 72 72 LYS HD3 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 5.5 . . . . . A . 72 LYS HD3 . . A . 72 LYS HG2 . . . 72 LYS+ QD . . . . . 72 LYS+ QG . . rr_1aqa 1 1391 3 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HD2 H . . . . . . . 5.5 . . . . . A . 72 LYS HG3 . . A . 72 LYS HD2 . . . 72 LYS+ QG . . . . . 72 LYS+ QD . . rr_1aqa 1 1391 4 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HD3 H . . . . . . . 5.5 . . . . . A . 72 LYS HG3 . . A . 72 LYS HD3 . . . 72 LYS+ QG . . . . . 72 LYS+ QD . . rr_1aqa 1 1392 1 OR . 1 1 72 72 LYS HE3 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 6.3 . . . . . A . 72 LYS HE3 . . A . 72 LYS HG2 . . . 72 LYS+ QE . . . . . 72 LYS+ QG . . rr_1aqa 1 1392 2 OR . 1 1 72 72 LYS HE2 H . . . 1 1 72 72 LYS HG2 H . . . . . . . 6.3 . . . . . A . 72 LYS HE2 . . A . 72 LYS HG2 . . . 72 LYS+ QE . . . . . 72 LYS+ QG . . rr_1aqa 1 1392 3 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HE2 H . . . . . . . 6.3 . . . . . A . 72 LYS HG3 . . A . 72 LYS HE2 . . . 72 LYS+ QG . . . . . 72 LYS+ QE . . rr_1aqa 1 1392 4 OR . 1 1 72 72 LYS HG3 H . . . 1 1 72 72 LYS HE3 H . . . . . . . 6.3 . . . . . A . 72 LYS HG3 . . A . 72 LYS HE3 . . . 72 LYS+ QG . . . . . 72 LYS+ QE . . rr_1aqa 1 1393 1 OR . 1 1 72 72 LYS HD2 H . . . 1 1 72 72 LYS HE2 H . . . . . . . 8.0 . . . . . A . 72 LYS HD2 . . A . 72 LYS HE2 . . . 72 LYS+ QD . . . . . 72 LYS+ QE . . rr_1aqa 1 1393 2 OR . 1 1 72 72 LYS HD3 H . . . 1 1 72 72 LYS HE2 H . . . . . . . 8.0 . . . . . A . 72 LYS HD3 . . A . 72 LYS HE2 . . . 72 LYS+ QD . . . . . 72 LYS+ QE . . rr_1aqa 1 1393 3 OR . 1 1 72 72 LYS HE3 H . . . 1 1 72 72 LYS HD2 H . . . . . . . 8.0 . . . . . A . 72 LYS HE3 . . A . 72 LYS HD2 . . . 72 LYS+ QE . . . . . 72 LYS+ QD . . rr_1aqa 1 1393 4 OR . 1 1 72 72 LYS HD3 H . . . 1 1 72 72 LYS HE3 H . . . . . . . 8.0 . . . . . A . 72 LYS HD3 . . A . 72 LYS HE3 . . . 72 LYS+ QD . . . . . 72 LYS+ QE . . rr_1aqa 1 1394 1 OR . 1 1 73 73 THR HB H . . . 1 1 72 72 LYS HD2 H . . . . . . . 6.9 . . . . . A . 73 THR HB . . A . 72 LYS HD2 . . . 73 THR HB . . . . . 72 LYS+ QD . . rr_1aqa 1 1394 2 OR . 1 1 72 72 LYS HD3 H . . . 1 1 73 73 THR HB H . . . . . . . 6.9 . . . . . A . 72 LYS HD3 . . A . 73 THR HB . . . 72 LYS+ QD . . . . . 73 THR HB . . rr_1aqa 1 1395 1 OR . 1 1 73 73 THR H H . . . 1 1 72 72 LYS HE2 H . . . . . . . 7.0 . . . . . A . 73 THR H . . A . 72 LYS HE2 . . . 73 THR HN . . . . . 72 LYS+ QE . . rr_1aqa 1 1395 2 OR . 1 1 73 73 THR H H . . . 1 1 72 72 LYS HE3 H . . . . . . . 7.0 . . . . . A . 73 THR H . . A . 72 LYS HE3 . . . 73 THR HN . . . . . 72 LYS+ QE . . rr_1aqa 1 1396 1 OR . 1 1 73 73 THR HB H . . . 1 1 72 72 LYS HE2 H . . . . . . . 7.0 . . . . . A . 73 THR HB . . A . 72 LYS HE2 . . . 73 THR HB . . . . . 72 LYS+ QE . . rr_1aqa 1 1396 2 OR . 1 1 73 73 THR HB H . . . 1 1 72 72 LYS HE3 H . . . . . . . 7.0 . . . . . A . 73 THR HB . . A . 72 LYS HE3 . . . 73 THR HB . . . . . 72 LYS+ QE . . rr_1aqa 1 1397 1 OR . 1 1 74 74 TYR CZ C . . . 1 1 72 72 LYS HE2 H . . . . . . . 9.0 . . . . . A . 74 TYR CZ . . A . 72 LYS HE2 . . . 74 TYR CZ . . . . . 72 LYS+ QE . . rr_1aqa 1 1397 2 OR . 1 1 74 74 TYR CZ C . . . 1 1 72 72 LYS HE3 H . . . . . . . 9.0 . . . . . A . 74 TYR CZ . . A . 72 LYS HE3 . . . 74 TYR CZ . . . . . 72 LYS+ QE . . rr_1aqa 1 1398 1 . . 1 1 73 73 THR H H . . . 1 1 73 73 THR HA H . . . . . . . 3.9 . . . . . A . 73 THR H . . A . 73 THR HA . . . 73 THR HN . . . . . 73 THR HA . . rr_1aqa 1 1399 1 . . 1 1 73 73 THR H H . . . 1 1 73 73 THR HB H . . . . . . . 3.7 . . . . . A . 73 THR H . . A . 73 THR HB . . . 73 THR HN . . . . . 73 THR HB . . rr_1aqa 1 1400 1 . . 1 1 73 73 THR H H . . . 1 1 73 73 THR MG H . . . . . . . 4.5 . . . . . A . 73 THR H . . A . 73 THR MG . . . 73 THR HN . . . . . 73 THR QG2 . . rr_1aqa 1 1401 1 . . 1 1 73 73 THR H H . . . 1 1 74 74 TYR H H . . . . . . . 3.8 . . . . . A . 73 THR H . . A . 74 TYR H . . . 73 THR HN . . . . . 74 TYR HN . . rr_1aqa 1 1402 1 . . 1 1 73 73 THR HB H . . . 1 1 73 73 THR HA H . . . . . . . 3.4 . . . . . A . 73 THR HB . . A . 73 THR HA . . . 73 THR HB . . . . . 73 THR HA . . rr_1aqa 1 1403 1 . . 1 1 73 73 THR MG H . . . 1 1 73 73 THR HA H . . . . . . . 4.2 . . . . . A . 73 THR MG . . A . 73 THR HA . . . 73 THR QG2 . . . . . 73 THR HA . . rr_1aqa 1 1404 1 . . 1 1 73 73 THR HA H . . . 1 1 74 74 TYR H H . . . . . . . 4.4 . . . . . A . 73 THR HA . . A . 74 TYR H . . . 73 THR HA . . . . . 74 TYR HN . . rr_1aqa 1 1405 1 . . 1 1 73 73 THR HB H . . . 1 1 73 73 THR MG H . . . . . . . 3.8 . . . . . A . 73 THR HB . . A . 73 THR MG . . . 73 THR HB . . . . . 73 THR QG2 . . rr_1aqa 1 1406 1 . . 1 1 73 73 THR HB H . . . 1 1 74 74 TYR H H . . . . . . . 4.3 . . . . . A . 73 THR HB . . A . 74 TYR H . . . 73 THR HB . . . . . 74 TYR HN . . rr_1aqa 1 1407 1 OR . 1 1 73 73 THR HB H . . . 1 1 74 74 TYR HB2 H . . . . . . . 6.5 . . . . . A . 73 THR HB . . A . 74 TYR HB2 . . . 73 THR HB . . . . . 74 TYR QB . . rr_1aqa 1 1407 2 OR . 1 1 74 74 TYR HB3 H . . . 1 1 73 73 THR HB H . . . . . . . 6.5 . . . . . A . 74 TYR HB3 . . A . 73 THR HB . . . 74 TYR QB . . . . . 73 THR HB . . rr_1aqa 1 1408 1 . . 1 1 74 74 TYR CG C . . . 1 1 73 73 THR HB H . . . . . . . 8.0 . . . . . A . 74 TYR CG . . A . 73 THR HB . . . 74 TYR CG . . . . . 73 THR HB . . rr_1aqa 1 1409 1 . . 1 1 74 74 TYR CZ C . . . 1 1 73 73 THR HB H . . . . . . . 8.0 . . . . . A . 74 TYR CZ . . A . 73 THR HB . . . 74 TYR CZ . . . . . 73 THR HB . . rr_1aqa 1 1410 1 . . 1 1 73 73 THR MG H . . . 1 1 74 74 TYR H H . . . . . . . 7.0 . . . . . A . 73 THR MG . . A . 74 TYR H . . . 73 THR QG2 . . . . . 74 TYR HN . . rr_1aqa 1 1411 1 . . 1 1 74 74 TYR CG C . . . 1 1 73 73 THR MG H . . . . . . . 9.0 . . . . . A . 74 TYR CG . . A . 73 THR MG . . . 74 TYR CG . . . . . 73 THR QG2 . . rr_1aqa 1 1412 1 . . 1 1 74 74 TYR CZ C . . . 1 1 73 73 THR MG H . . . . . . . 8.9 . . . . . A . 74 TYR CZ . . A . 73 THR MG . . . 74 TYR CZ . . . . . 73 THR QG2 . . rr_1aqa 1 1413 1 OR . 1 1 73 73 THR MG H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.2 . . . . . A . 73 THR MG . . A . 75 ILE HG12 . . . 73 THR QG2 . . . . . 75 ILE QG1 . . rr_1aqa 1 1413 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 73 73 THR MG H . . . . . . . 7.2 . . . . . A . 75 ILE HG13 . . A . 73 THR MG . . . 75 ILE QG1 . . . . . 73 THR QG2 . . rr_1aqa 1 1414 1 OR . 1 1 74 74 TYR H H . . . 1 1 74 74 TYR HB2 H . . . . . . . 5.6 . . . . . A . 74 TYR H . . A . 74 TYR HB2 . . . 74 TYR HN . . . . . 74 TYR QB . . rr_1aqa 1 1414 2 OR . 1 1 74 74 TYR HB3 H . . . 1 1 74 74 TYR H H . . . . . . . 5.6 . . . . . A . 74 TYR HB3 . . A . 74 TYR H . . . 74 TYR QB . . . . . 74 TYR HN . . rr_1aqa 1 1415 1 . . 1 1 74 74 TYR CG C . . . 1 1 74 74 TYR H H . . . . . . . 7.0 . . . . . A . 74 TYR CG . . A . 74 TYR H . . . 74 TYR CG . . . . . 74 TYR HN . . rr_1aqa 1 1416 1 . . 1 1 74 74 TYR CZ C . . . 1 1 74 74 TYR H H . . . . . . . 7.0 . . . . . A . 74 TYR CZ . . A . 74 TYR H . . . 74 TYR CZ . . . . . 74 TYR HN . . rr_1aqa 1 1417 1 . . 1 1 75 75 ILE H H . . . 1 1 74 74 TYR H H . . . . . . . 3.6 . . . . . A . 75 ILE H . . A . 74 TYR H . . . 75 ILE HN . . . . . 74 TYR HN . . rr_1aqa 1 1418 1 OR . 1 1 74 74 TYR HA H . . . 1 1 74 74 TYR HB2 H . . . . . . . 7.0 . . . . . A . 74 TYR HA . . A . 74 TYR HB2 . . . 74 TYR HA . . . . . 74 TYR QB . . rr_1aqa 1 1418 2 OR . 1 1 74 74 TYR HB3 H . . . 1 1 74 74 TYR HA H . . . . . . . 7.0 . . . . . A . 74 TYR HB3 . . A . 74 TYR HA . . . 74 TYR QB . . . . . 74 TYR HA . . rr_1aqa 1 1419 1 . . 1 1 74 74 TYR CG C . . . 1 1 74 74 TYR HA H . . . . . . . 7.0 . . . . . A . 74 TYR CG . . A . 74 TYR HA . . . 74 TYR CG . . . . . 74 TYR HA . . rr_1aqa 1 1420 1 OR . 1 1 74 74 TYR CG C . . . 1 1 74 74 TYR HB2 H . . . . . . . 8.0 . . . . . A . 74 TYR CG . . A . 74 TYR HB2 . . . 74 TYR CG . . . . . 74 TYR QB . . rr_1aqa 1 1420 2 OR . 1 1 74 74 TYR CG C . . . 1 1 74 74 TYR HB3 H . . . . . . . 8.0 . . . . . A . 74 TYR CG . . A . 74 TYR HB3 . . . 74 TYR CG . . . . . 74 TYR QB . . rr_1aqa 1 1421 1 . . 1 1 74 74 TYR CG C . . . 1 1 74 74 TYR CZ C . . . . . . . 8.8 . . . . . A . 74 TYR CG . . A . 74 TYR CZ . . . 74 TYR CG . . . . . 74 TYR CZ . . rr_1aqa 1 1422 1 . . 1 1 75 75 ILE HA H . . . 1 1 75 75 ILE H H . . . . . . . 4.0 . . . . . A . 75 ILE HA . . A . 75 ILE H . . . 75 ILE HA . . . . . 75 ILE HN . . rr_1aqa 1 1423 1 . . 1 1 75 75 ILE H H . . . 1 1 75 75 ILE HB H . . . . . . . 3.4 . . . . . A . 75 ILE H . . A . 75 ILE HB . . . 75 ILE HN . . . . . 75 ILE HB . . rr_1aqa 1 1424 1 . . 1 1 75 75 ILE MG H . . . 1 1 75 75 ILE H H . . . . . . . 4.8 . . . . . A . 75 ILE MG . . A . 75 ILE H . . . 75 ILE QG2 . . . . . 75 ILE HN . . rr_1aqa 1 1425 1 OR . 1 1 75 75 ILE H H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.0 . . . . . A . 75 ILE H . . A . 75 ILE HG12 . . . 75 ILE HN . . . . . 75 ILE QG1 . . rr_1aqa 1 1425 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 75 75 ILE H H . . . . . . . 7.0 . . . . . A . 75 ILE HG13 . . A . 75 ILE H . . . 75 ILE QG1 . . . . . 75 ILE HN . . rr_1aqa 1 1426 1 . . 1 1 75 75 ILE HA H . . . 1 1 75 75 ILE HB H . . . . . . . 3.9 . . . . . A . 75 ILE HA . . A . 75 ILE HB . . . 75 ILE HA . . . . . 75 ILE HB . . rr_1aqa 1 1427 1 . . 1 1 75 75 ILE MG H . . . 1 1 75 75 ILE HA H . . . . . . . 3.8 . . . . . A . 75 ILE MG . . A . 75 ILE HA . . . 75 ILE QG2 . . . . . 75 ILE HA . . rr_1aqa 1 1428 1 OR . 1 1 75 75 ILE HA H . . . 1 1 75 75 ILE HG12 H . . . . . . . 5.8 . . . . . A . 75 ILE HA . . A . 75 ILE HG12 . . . 75 ILE HA . . . . . 75 ILE QG1 . . rr_1aqa 1 1428 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 75 75 ILE HA H . . . . . . . 5.8 . . . . . A . 75 ILE HG13 . . A . 75 ILE HA . . . 75 ILE QG1 . . . . . 75 ILE HA . . rr_1aqa 1 1429 1 . . 1 1 75 75 ILE HA H . . . 1 1 76 76 ILE H H . . . . . . . 2.8 . . . . . A . 75 ILE HA . . A . 76 ILE H . . . 75 ILE HA . . . . . 76 ILE HN . . rr_1aqa 1 1430 1 . . 1 1 76 76 ILE MG H . . . 1 1 75 75 ILE HA H . . . . . . . 5.0 . . . . . A . 76 ILE MG . . A . 75 ILE HA . . . 76 ILE QG2 . . . . . 75 ILE HA . . rr_1aqa 1 1431 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 75 75 ILE HA H . . . . . . . 6.0 . . . . . A . 76 ILE HG13 . . A . 75 ILE HA . . . 76 ILE HG13 . . . . . 75 ILE HA . . rr_1aqa 1 1432 1 . . 1 1 77 77 GLY H H . . . 1 1 75 75 ILE HA H . . . . . . . 4.2 . . . . . A . 77 GLY H . . A . 75 ILE HA . . . 77 GLY HN . . . . . 75 ILE HA . . rr_1aqa 1 1433 1 . . 1 1 75 75 ILE MG H . . . 1 1 75 75 ILE HB H . . . . . . . 3.6 . . . . . A . 75 ILE MG . . A . 75 ILE HB . . . 75 ILE QG2 . . . . . 75 ILE HB . . rr_1aqa 1 1434 1 OR . 1 1 75 75 ILE HB H . . . 1 1 75 75 ILE HG12 H . . . . . . . 5.8 . . . . . A . 75 ILE HB . . A . 75 ILE HG12 . . . 75 ILE HB . . . . . 75 ILE QG1 . . rr_1aqa 1 1434 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 75 75 ILE HB H . . . . . . . 5.8 . . . . . A . 75 ILE HG13 . . A . 75 ILE HB . . . 75 ILE QG1 . . . . . 75 ILE HB . . rr_1aqa 1 1435 1 . . 1 1 77 77 GLY H H . . . 1 1 75 75 ILE HB H . . . . . . . 5.7 . . . . . A . 77 GLY H . . A . 75 ILE HB . . . 77 GLY HN . . . . . 75 ILE HB . . rr_1aqa 1 1436 1 OR . 1 1 75 75 ILE MG H . . . 1 1 75 75 ILE HG12 H . . . . . . . 6.3 . . . . . A . 75 ILE MG . . A . 75 ILE HG12 . . . 75 ILE QG2 . . . . . 75 ILE QG1 . . rr_1aqa 1 1436 2 OR . 1 1 75 75 ILE MG H . . . 1 1 75 75 ILE HG13 H . . . . . . . 6.3 . . . . . A . 75 ILE MG . . A . 75 ILE HG13 . . . 75 ILE QG2 . . . . . 75 ILE QG1 . . rr_1aqa 1 1437 1 . . 1 1 75 75 ILE MG H . . . 1 1 76 76 ILE H H . . . . . . . 4.1 . . . . . A . 75 ILE MG . . A . 76 ILE H . . . 75 ILE QG2 . . . . . 76 ILE HN . . rr_1aqa 1 1438 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 75 75 ILE MG H . . . . . . . 6.1 . . . . . A . 76 ILE HG13 . . A . 75 ILE MG . . . 76 ILE HG13 . . . . . 75 ILE QG2 . . rr_1aqa 1 1439 1 . . 1 1 77 77 GLY H H . . . 1 1 75 75 ILE MG H . . . . . . . 3.7 . . . . . A . 77 GLY H . . A . 75 ILE MG . . . 77 GLY HN . . . . . 75 ILE QG2 . . rr_1aqa 1 1440 1 . . 1 1 77 77 GLY HA2 H . . . 1 1 75 75 ILE MG H . . . . . . . 4.6 . . . . . A . 77 GLY HA2 . . A . 75 ILE MG . . . 77 GLY HA1 . . . . . 75 ILE QG2 . . rr_1aqa 1 1441 1 OR . 1 1 76 76 ILE H H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.0 . . . . . A . 76 ILE H . . A . 75 ILE HG12 . . . 76 ILE HN . . . . . 75 ILE QG1 . . rr_1aqa 1 1441 2 OR . 1 1 75 75 ILE HG13 H . . . 1 1 76 76 ILE H H . . . . . . . 7.0 . . . . . A . 75 ILE HG13 . . A . 76 ILE H . . . 75 ILE QG1 . . . . . 76 ILE HN . . rr_1aqa 1 1442 1 OR . 1 1 77 77 GLY H H . . . 1 1 75 75 ILE HG12 H . . . . . . . 7.0 . . . . . A . 77 GLY H . . A . 75 ILE HG12 . . . 77 GLY HN . . . . . 75 ILE QG1 . . rr_1aqa 1 1442 2 OR . 1 1 77 77 GLY H H . . . 1 1 75 75 ILE HG13 H . . . . . . . 7.0 . . . . . A . 77 GLY H . . A . 75 ILE HG13 . . . 77 GLY HN . . . . . 75 ILE QG1 . . rr_1aqa 1 1443 1 . . 1 1 76 76 ILE HB H . . . 1 1 76 76 ILE H H . . . . . . . 5.9 . . . . . A . 76 ILE HB . . A . 76 ILE H . . . 76 ILE HB . . . . . 76 ILE HN . . rr_1aqa 1 1444 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE H H . . . . . . . 4.2 . . . . . A . 76 ILE MG . . A . 76 ILE H . . . 76 ILE QG2 . . . . . 76 ILE HN . . rr_1aqa 1 1445 1 . . 1 1 76 76 ILE HG12 H . . . 1 1 76 76 ILE H H . . . . . . . 4.4 . . . . . A . 76 ILE HG12 . . A . 76 ILE H . . . 76 ILE HG12 . . . . . 76 ILE HN . . rr_1aqa 1 1446 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 76 76 ILE H H . . . . . . . 4.1 . . . . . A . 76 ILE HG13 . . A . 76 ILE H . . . 76 ILE HG13 . . . . . 76 ILE HN . . rr_1aqa 1 1447 1 . . 1 1 76 76 ILE MD H . . . 1 1 76 76 ILE H H . . . . . . . 5.5 . . . . . A . 76 ILE MD . . A . 76 ILE H . . . 76 ILE QD1 . . . . . 76 ILE HN . . rr_1aqa 1 1448 1 . . 1 1 77 77 GLY H H . . . 1 1 76 76 ILE H H . . . . . . . 3.0 . . . . . A . 77 GLY H . . A . 76 ILE H . . . 77 GLY HN . . . . . 76 ILE HN . . rr_1aqa 1 1449 1 . . 1 1 76 76 ILE HB H . . . 1 1 76 76 ILE HA H . . . . . . . 4.7 . . . . . A . 76 ILE HB . . A . 76 ILE HA . . . 76 ILE HB . . . . . 76 ILE HA . . rr_1aqa 1 1450 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE HA H . . . . . . . 5.7 . . . . . A . 76 ILE MG . . A . 76 ILE HA . . . 76 ILE QG2 . . . . . 76 ILE HA . . rr_1aqa 1 1451 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 76 76 ILE HA H . . . . . . . 5.6 . . . . . A . 76 ILE HG13 . . A . 76 ILE HA . . . 76 ILE HG13 . . . . . 76 ILE HA . . rr_1aqa 1 1452 1 . . 1 1 76 76 ILE MD H . . . 1 1 76 76 ILE HA H . . . . . . . 5.5 . . . . . A . 76 ILE MD . . A . 76 ILE HA . . . 76 ILE QD1 . . . . . 76 ILE HA . . rr_1aqa 1 1453 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE HB H . . . . . . . 3.4 . . . . . A . 76 ILE MG . . A . 76 ILE HB . . . 76 ILE QG2 . . . . . 76 ILE HB . . rr_1aqa 1 1454 1 . . 1 1 76 76 ILE HG12 H . . . 1 1 76 76 ILE HB H . . . . . . . 4.5 . . . . . A . 76 ILE HG12 . . A . 76 ILE HB . . . 76 ILE HG12 . . . . . 76 ILE HB . . rr_1aqa 1 1455 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 76 76 ILE HB H . . . . . . . 5.0 . . . . . A . 76 ILE HG13 . . A . 76 ILE HB . . . 76 ILE HG13 . . . . . 76 ILE HB . . rr_1aqa 1 1456 1 . . 1 1 76 76 ILE MD H . . . 1 1 76 76 ILE HB H . . . . . . . 3.6 . . . . . A . 76 ILE MD . . A . 76 ILE HB . . . 76 ILE QD1 . . . . . 76 ILE HB . . rr_1aqa 1 1457 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE HG12 H . . . . . . . 4.3 . . . . . A . 76 ILE MG . . A . 76 ILE HG12 . . . 76 ILE QG2 . . . . . 76 ILE HG12 . . rr_1aqa 1 1458 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE HG13 H . . . . . . . 3.9 . . . . . A . 76 ILE MG . . A . 76 ILE HG13 . . . 76 ILE QG2 . . . . . 76 ILE HG13 . . rr_1aqa 1 1459 1 . . 1 1 76 76 ILE MG H . . . 1 1 76 76 ILE MD H . . . . . . . 4.4 . . . . . A . 76 ILE MG . . A . 76 ILE MD . . . 76 ILE QG2 . . . . . 76 ILE QD1 . . rr_1aqa 1 1460 1 . . 1 1 76 76 ILE MG H . . . 1 1 77 77 GLY H H . . . . . . . 6.5 . . . . . A . 76 ILE MG . . A . 77 GLY H . . . 76 ILE QG2 . . . . . 77 GLY HN . . rr_1aqa 1 1461 1 . . 1 1 76 76 ILE HG12 H . . . 1 1 76 76 ILE MD H . . . . . . . 3.7 . . . . . A . 76 ILE HG12 . . A . 76 ILE MD . . . 76 ILE HG12 . . . . . 76 ILE QD1 . . rr_1aqa 1 1462 1 . . 1 1 76 76 ILE HG12 H . . . 1 1 77 77 GLY H H . . . . . . . 6.0 . . . . . A . 76 ILE HG12 . . A . 77 GLY H . . . 76 ILE HG12 . . . . . 77 GLY HN . . rr_1aqa 1 1463 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 76 76 ILE MD H . . . . . . . 4.0 . . . . . A . 76 ILE HG13 . . A . 76 ILE MD . . . 76 ILE HG13 . . . . . 76 ILE QD1 . . rr_1aqa 1 1464 1 . . 1 1 76 76 ILE HG13 H . . . 1 1 77 77 GLY H H . . . . . . . 6.0 . . . . . A . 76 ILE HG13 . . A . 77 GLY H . . . 76 ILE HG13 . . . . . 77 GLY HN . . rr_1aqa 1 1465 1 . . 1 1 76 76 ILE MD H . . . 1 1 77 77 GLY H H . . . . . . . 7.0 . . . . . A . 76 ILE MD . . A . 77 GLY H . . . 76 ILE QD1 . . . . . 77 GLY HN . . rr_1aqa 1 1466 1 . . 1 1 77 77 GLY HA2 H . . . 1 1 77 77 GLY H H . . . . . . . 4.3 . . . . . A . 77 GLY HA2 . . A . 77 GLY H . . . 77 GLY HA1 . . . . . 77 GLY HN . . rr_1aqa 1 1467 1 . . 1 1 77 77 GLY HA3 H . . . 1 1 77 77 GLY H H . . . . . . . 5.2 . . . . . A . 77 GLY HA3 . . A . 77 GLY H . . . 77 GLY HA2 . . . . . 77 GLY HN . . rr_1aqa 1 1468 1 . . 1 1 78 78 GLU H H . . . 1 1 77 77 GLY H H . . . . . . . 5.4 . . . . . A . 78 GLU H . . A . 77 GLY H . . . 78 GLU- HN . . . . . 77 GLY HN . . rr_1aqa 1 1469 1 . . 1 1 78 78 GLU H H . . . 1 1 77 77 GLY HA2 H . . . . . . . 4.2 . . . . . A . 78 GLU H . . A . 77 GLY HA2 . . . 78 GLU- HN . . . . . 77 GLY HA1 . . rr_1aqa 1 1470 1 . . 1 1 77 77 GLY HA2 H . . . 1 1 78 78 GLU HA H . . . . . . . 5.3 . . . . . A . 77 GLY HA2 . . A . 78 GLU HA . . . 77 GLY HA1 . . . . . 78 GLU- HA . . rr_1aqa 1 1471 1 OR . 1 1 77 77 GLY HA2 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 7.0 . . . . . A . 77 GLY HA2 . . A . 78 GLU HG2 . . . 77 GLY HA1 . . . . . 78 GLU- QG . . rr_1aqa 1 1471 2 OR . 1 1 77 77 GLY HA2 H . . . 1 1 78 78 GLU HG3 H . . . . . . . 7.0 . . . . . A . 77 GLY HA2 . . A . 78 GLU HG3 . . . 77 GLY HA1 . . . . . 78 GLU- QG . . rr_1aqa 1 1472 1 . . 1 1 78 78 GLU H H . . . 1 1 77 77 GLY HA3 H . . . . . . . 4.3 . . . . . A . 78 GLU H . . A . 77 GLY HA3 . . . 78 GLU- HN . . . . . 77 GLY HA2 . . rr_1aqa 1 1473 1 . . 1 1 78 78 GLU H H . . . 1 1 78 78 GLU HA H . . . . . . . 4.7 . . . . . A . 78 GLU H . . A . 78 GLU HA . . . 78 GLU- HN . . . . . 78 GLU- HA . . rr_1aqa 1 1474 1 OR . 1 1 78 78 GLU H H . . . 1 1 78 78 GLU HB2 H . . . . . . . 5.2 . . . . . A . 78 GLU H . . A . 78 GLU HB2 . . . 78 GLU- HN . . . . . 78 GLU- QB . . rr_1aqa 1 1474 2 OR . 1 1 78 78 GLU H H . . . 1 1 78 78 GLU HB3 H . . . . . . . 5.2 . . . . . A . 78 GLU H . . A . 78 GLU HB3 . . . 78 GLU- HN . . . . . 78 GLU- QB . . rr_1aqa 1 1475 1 OR . 1 1 78 78 GLU H H . . . 1 1 78 78 GLU HG2 H . . . . . . . 6.8 . . . . . A . 78 GLU H . . A . 78 GLU HG2 . . . 78 GLU- HN . . . . . 78 GLU- QG . . rr_1aqa 1 1475 2 OR . 1 1 78 78 GLU H H . . . 1 1 78 78 GLU HG3 H . . . . . . . 6.8 . . . . . A . 78 GLU H . . A . 78 GLU HG3 . . . 78 GLU- HN . . . . . 78 GLU- QG . . rr_1aqa 1 1476 1 . . 1 1 78 78 GLU H H . . . 1 1 79 79 LEU H H . . . . . . . 4.9 . . . . . A . 78 GLU H . . A . 79 LEU H . . . 78 GLU- HN . . . . . 79 LEU HN . . rr_1aqa 1 1477 1 OR . 1 1 78 78 GLU HA H . . . 1 1 78 78 GLU HB2 H . . . . . . . 4.4 . . . . . A . 78 GLU HA . . A . 78 GLU HB2 . . . 78 GLU- HA . . . . . 78 GLU- QB . . rr_1aqa 1 1477 2 OR . 1 1 78 78 GLU HB3 H . . . 1 1 78 78 GLU HA H . . . . . . . 4.4 . . . . . A . 78 GLU HB3 . . A . 78 GLU HA . . . 78 GLU- QB . . . . . 78 GLU- HA . . rr_1aqa 1 1478 1 OR . 1 1 78 78 GLU HA H . . . 1 1 78 78 GLU HG2 H . . . . . . . 5.3 . . . . . A . 78 GLU HA . . A . 78 GLU HG2 . . . 78 GLU- HA . . . . . 78 GLU- QG . . rr_1aqa 1 1478 2 OR . 1 1 78 78 GLU HG3 H . . . 1 1 78 78 GLU HA H . . . . . . . 5.3 . . . . . A . 78 GLU HG3 . . A . 78 GLU HA . . . 78 GLU- QG . . . . . 78 GLU- HA . . rr_1aqa 1 1479 1 . . 1 1 78 78 GLU HA H . . . 1 1 79 79 LEU MD1 H . . . . . . . 4.8 . . . . . A . 78 GLU HA . . A . 79 LEU MD1 . . . 78 GLU- HA . . . . . 79 LEU QD1 . . rr_1aqa 1 1480 1 OR . 1 1 78 78 GLU HB3 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 5.9 . . . . . A . 78 GLU HB3 . . A . 78 GLU HG2 . . . 78 GLU- QB . . . . . 78 GLU- QG . . rr_1aqa 1 1480 2 OR . 1 1 78 78 GLU HB2 H . . . 1 1 78 78 GLU HG2 H . . . . . . . 5.9 . . . . . A . 78 GLU HB2 . . A . 78 GLU HG2 . . . 78 GLU- QB . . . . . 78 GLU- QG . . rr_1aqa 1 1480 3 OR . 1 1 78 78 GLU HG3 H . . . 1 1 78 78 GLU HB2 H . . . . . . . 5.9 . . . . . A . 78 GLU HG3 . . A . 78 GLU HB2 . . . 78 GLU- QG . . . . . 78 GLU- QB . . rr_1aqa 1 1480 4 OR . 1 1 78 78 GLU HB3 H . . . 1 1 78 78 GLU HG3 H . . . . . . . 5.9 . . . . . A . 78 GLU HB3 . . A . 78 GLU HG3 . . . 78 GLU- QB . . . . . 78 GLU- QG . . rr_1aqa 1 1481 1 . . 1 1 79 79 LEU H H . . . 1 1 79 79 LEU HA H . . . . . . . 4.9 . . . . . A . 79 LEU H . . A . 79 LEU HA . . . 79 LEU HN . . . . . 79 LEU HA . . rr_1aqa 1 1482 1 OR . 1 1 79 79 LEU H H . . . 1 1 79 79 LEU HB2 H . . . . . . . 6.6 . . . . . A . 79 LEU H . . A . 79 LEU HB2 . . . 79 LEU HN . . . . . 79 LEU QB . . rr_1aqa 1 1482 2 OR . 1 1 79 79 LEU H H . . . 1 1 79 79 LEU HB3 H . . . . . . . 6.6 . . . . . A . 79 LEU H . . A . 79 LEU HB3 . . . 79 LEU HN . . . . . 79 LEU QB . . rr_1aqa 1 1483 1 . . 1 1 79 79 LEU H H . . . 1 1 79 79 LEU MD1 H . . . . . . . 4.4 . . . . . A . 79 LEU H . . A . 79 LEU MD1 . . . 79 LEU HN . . . . . 79 LEU QD1 . . rr_1aqa 1 1484 1 . . 1 1 79 79 LEU H H . . . 1 1 79 79 LEU MD2 H . . . . . . . 5.8 . . . . . A . 79 LEU H . . A . 79 LEU MD2 . . . 79 LEU HN . . . . . 79 LEU QD2 . . rr_1aqa 1 1485 1 . . 1 1 79 79 LEU H H . . . 1 1 80 80 HIS H H . . . . . . . 4.3 . . . . . A . 79 LEU H . . A . 80 HIS H . . . 79 LEU HN . . . . . 80 HIS HN . . rr_1aqa 1 1486 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 79 79 LEU HA H . . . . . . . 5.1 . . . . . A . 79 LEU MD1 . . A . 79 LEU HA . . . 79 LEU QD1 . . . . . 79 LEU HA . . rr_1aqa 1 1487 1 OR . 1 1 79 79 LEU HG H . . . 1 1 79 79 LEU HB2 H . . . . . . . 5.3 . . . . . A . 79 LEU HG . . A . 79 LEU HB2 . . . 79 LEU HG . . . . . 79 LEU QB . . rr_1aqa 1 1487 2 OR . 1 1 79 79 LEU HG H . . . 1 1 79 79 LEU HB3 H . . . . . . . 5.3 . . . . . A . 79 LEU HG . . A . 79 LEU HB3 . . . 79 LEU HG . . . . . 79 LEU QB . . rr_1aqa 1 1488 1 OR . 1 1 79 79 LEU MD1 H . . . 1 1 79 79 LEU HB2 H . . . . . . . 5.6 . . . . . A . 79 LEU MD1 . . A . 79 LEU HB2 . . . 79 LEU QD1 . . . . . 79 LEU QB . . rr_1aqa 1 1488 2 OR . 1 1 79 79 LEU MD1 H . . . 1 1 79 79 LEU HB3 H . . . . . . . 5.6 . . . . . A . 79 LEU MD1 . . A . 79 LEU HB3 . . . 79 LEU QD1 . . . . . 79 LEU QB . . rr_1aqa 1 1489 1 OR . 1 1 79 79 LEU MD2 H . . . 1 1 79 79 LEU HB2 H . . . . . . . 8.0 . . . . . A . 79 LEU MD2 . . A . 79 LEU HB2 . . . 79 LEU QD2 . . . . . 79 LEU QB . . rr_1aqa 1 1489 2 OR . 1 1 79 79 LEU MD2 H . . . 1 1 79 79 LEU HB3 H . . . . . . . 8.0 . . . . . A . 79 LEU MD2 . . A . 79 LEU HB3 . . . 79 LEU QD2 . . . . . 79 LEU QB . . rr_1aqa 1 1490 1 OR . 1 1 87 87 ILE MD H . . . 1 1 79 79 LEU HB2 H . . . . . . . 7.5 . . . . . A . 87 ILE MD . . A . 79 LEU HB2 . . . 87 ILE QD1 . . . . . 79 LEU QB . . rr_1aqa 1 1490 2 OR . 1 1 87 87 ILE MD H . . . 1 1 79 79 LEU HB3 H . . . . . . . 7.5 . . . . . A . 87 ILE MD . . A . 79 LEU HB3 . . . 87 ILE QD1 . . . . . 79 LEU QB . . rr_1aqa 1 1491 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 79 79 LEU HG H . . . . . . . 6.0 . . . . . A . 79 LEU MD1 . . A . 79 LEU HG . . . 79 LEU QD1 . . . . . 79 LEU HG . . rr_1aqa 1 1492 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 79 79 LEU HG H . . . . . . . 4.6 . . . . . A . 79 LEU MD2 . . A . 79 LEU HG . . . 79 LEU QD2 . . . . . 79 LEU HG . . rr_1aqa 1 1493 1 . . 1 1 80 80 HIS H H . . . 1 1 79 79 LEU HG H . . . . . . . 6.0 . . . . . A . 80 HIS H . . A . 79 LEU HG . . . 80 HIS HN . . . . . 79 LEU HG . . rr_1aqa 1 1494 1 . . 1 1 79 79 LEU HG H . . . 1 1 83 83 ASP HA H . . . . . . . 6.0 . . . . . A . 79 LEU HG . . A . 83 ASP HA . . . 79 LEU HG . . . . . 83 ASP- HA . . rr_1aqa 1 1495 1 OR . 1 1 79 79 LEU MD1 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 8.0 . . . . . A . 79 LEU MD1 . . A . 84 ARG HB2 . . . 79 LEU QD1 . . . . . 84 ARG+ QB . . rr_1aqa 1 1495 2 OR . 1 1 79 79 LEU MD1 H . . . 1 1 84 84 ARG HB3 H . . . . . . . 8.0 . . . . . A . 79 LEU MD1 . . A . 84 ARG HB3 . . . 79 LEU QD1 . . . . . 84 ARG+ QB . . rr_1aqa 1 1496 1 . . 1 1 79 79 LEU MD1 H . . . 1 1 87 87 ILE HB H . . . . . . . 6.7 . . . . . A . 79 LEU MD1 . . A . 87 ILE HB . . . 79 LEU QD1 . . . . . 87 ILE HB . . rr_1aqa 1 1497 1 . . 1 1 80 80 HIS H H . . . 1 1 79 79 LEU MD2 H . . . . . . . 5.6 . . . . . A . 80 HIS H . . A . 79 LEU MD2 . . . 80 HIS HN . . . . . 79 LEU QD2 . . rr_1aqa 1 1498 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 83 83 ASP H H . . . . . . . 7.0 . . . . . A . 79 LEU MD2 . . A . 83 ASP H . . . 79 LEU QD2 . . . . . 83 ASP- HN . . rr_1aqa 1 1499 1 OR . 1 1 79 79 LEU MD2 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 6.1 . . . . . A . 79 LEU MD2 . . A . 83 ASP HB2 . . . 79 LEU QD2 . . . . . 83 ASP- QB . . rr_1aqa 1 1499 2 OR . 1 1 79 79 LEU MD2 H . . . 1 1 83 83 ASP HB3 H . . . . . . . 6.1 . . . . . A . 79 LEU MD2 . . A . 83 ASP HB3 . . . 79 LEU QD2 . . . . . 83 ASP- QB . . rr_1aqa 1 1500 1 . . 1 1 79 79 LEU MD2 H . . . 1 1 84 84 ARG HA H . . . . . . . 6.7 . . . . . A . 79 LEU MD2 . . A . 84 ARG HA . . . 79 LEU QD2 . . . . . 84 ARG+ HA . . rr_1aqa 1 1501 1 OR . 1 1 79 79 LEU MD2 H . . . 1 1 87 87 ILE HG12 H . . . . . . . 5.3 . . . . . A . 79 LEU MD2 . . A . 87 ILE HG12 . . . 79 LEU QD2 . . . . . 87 ILE QG1 . . rr_1aqa 1 1501 2 OR . 1 1 79 79 LEU MD2 H . . . 1 1 87 87 ILE HG13 H . . . . . . . 5.3 . . . . . A . 79 LEU MD2 . . A . 87 ILE HG13 . . . 79 LEU QD2 . . . . . 87 ILE QG1 . . rr_1aqa 1 1502 1 . . 1 1 80 80 HIS H H . . . 1 1 80 80 HIS HA H . . . . . . . 4.3 . . . . . A . 80 HIS H . . A . 80 HIS HA . . . 80 HIS HN . . . . . 80 HIS HA . . rr_1aqa 1 1503 1 OR . 1 1 80 80 HIS H H . . . 1 1 80 80 HIS HB2 H . . . . . . . 4.6 . . . . . A . 80 HIS H . . A . 80 HIS HB2 . . . 80 HIS HN . . . . . 80 HIS QB . . rr_1aqa 1 1503 2 OR . 1 1 80 80 HIS H H . . . 1 1 80 80 HIS HB3 H . . . . . . . 4.6 . . . . . A . 80 HIS H . . A . 80 HIS HB3 . . . 80 HIS HN . . . . . 80 HIS QB . . rr_1aqa 1 1504 1 . . 1 1 80 80 HIS H H . . . 1 1 80 80 HIS HD2 H . . . . . . . 6.0 . . . . . A . 80 HIS H . . A . 80 HIS HD2 . . . 80 HIS HN . . . . . 80 HIS HD2 . . rr_1aqa 1 1505 1 OR . 1 1 80 80 HIS HA H . . . 1 1 80 80 HIS HB2 H . . . . . . . 5.3 . . . . . A . 80 HIS HA . . A . 80 HIS HB2 . . . 80 HIS HA . . . . . 80 HIS QB . . rr_1aqa 1 1505 2 OR . 1 1 80 80 HIS HA H . . . 1 1 80 80 HIS HB3 H . . . . . . . 5.3 . . . . . A . 80 HIS HA . . A . 80 HIS HB3 . . . 80 HIS HA . . . . . 80 HIS QB . . rr_1aqa 1 1506 1 . . 1 1 80 80 HIS HA H . . . 1 1 80 80 HIS HD2 H . . . . . . . 5.2 . . . . . A . 80 HIS HA . . A . 80 HIS HD2 . . . 80 HIS HA . . . . . 80 HIS HD2 . . rr_1aqa 1 1507 1 . . 1 1 80 80 HIS HA H . . . 1 1 81 81 PRO HD3 H . . . . . . . 4.6 . . . . . A . 80 HIS HA . . A . 81 PRO HD3 . . . 80 HIS HA . . . . . 81 PRO HD3 . . rr_1aqa 1 1508 1 OR . 1 1 80 80 HIS HD2 H . . . 1 1 80 80 HIS HB2 H . . . . . . . 6.1 . . . . . A . 80 HIS HD2 . . A . 80 HIS HB2 . . . 80 HIS HD2 . . . . . 80 HIS QB . . rr_1aqa 1 1508 2 OR . 1 1 80 80 HIS HB3 H . . . 1 1 80 80 HIS HD2 H . . . . . . . 6.1 . . . . . A . 80 HIS HB3 . . A . 80 HIS HD2 . . . 80 HIS QB . . . . . 80 HIS HD2 . . rr_1aqa 1 1509 1 OR . 1 1 82 82 ASP H H . . . 1 1 80 80 HIS HB2 H . . . . . . . 7.0 . . . . . A . 82 ASP H . . A . 80 HIS HB2 . . . 82 ASP- HN . . . . . 80 HIS QB . . rr_1aqa 1 1509 2 OR . 1 1 80 80 HIS HB3 H . . . 1 1 82 82 ASP H H . . . . . . . 7.0 . . . . . A . 80 HIS HB3 . . A . 82 ASP H . . . 80 HIS QB . . . . . 82 ASP- HN . . rr_1aqa 1 1510 1 . . 1 1 80 80 HIS HD2 H . . . 1 1 80 80 HIS HE1 H . . . . . . . 4.3 . . . . . A . 80 HIS HD2 . . A . 80 HIS HE1 . . . 80 HIS HD2 . . . . . 80 HIS HE1 . . rr_1aqa 1 1511 1 . . 1 1 80 80 HIS HD2 H . . . 1 1 81 81 PRO HD3 H . . . . . . . 6.0 . . . . . A . 80 HIS HD2 . . A . 81 PRO HD3 . . . 80 HIS HD2 . . . . . 81 PRO HD3 . . rr_1aqa 1 1512 1 . . 1 1 80 80 HIS HE1 H . . . 1 1 81 81 PRO HA H . . . . . . . 5.7 . . . . . A . 80 HIS HE1 . . A . 81 PRO HA . . . 80 HIS HE1 . . . . . 81 PRO HA . . rr_1aqa 1 1513 1 OR . 1 1 81 81 PRO HA H . . . 1 1 81 81 PRO HB2 H . . . . . . . 4.2 . . . . . A . 81 PRO HA . . A . 81 PRO HB2 . . . 81 PRO HA . . . . . 81 PRO QB . . rr_1aqa 1 1513 2 OR . 1 1 81 81 PRO HA H . . . 1 1 81 81 PRO HB3 H . . . . . . . 4.2 . . . . . A . 81 PRO HA . . A . 81 PRO HB3 . . . 81 PRO HA . . . . . 81 PRO QB . . rr_1aqa 1 1514 1 OR . 1 1 81 81 PRO HA H . . . 1 1 81 81 PRO HG2 H . . . . . . . 5.8 . . . . . A . 81 PRO HA . . A . 81 PRO HG2 . . . 81 PRO HA . . . . . 81 PRO QG . . rr_1aqa 1 1514 2 OR . 1 1 81 81 PRO HA H . . . 1 1 81 81 PRO HG3 H . . . . . . . 5.8 . . . . . A . 81 PRO HA . . A . 81 PRO HG3 . . . 81 PRO HA . . . . . 81 PRO QG . . rr_1aqa 1 1515 1 . . 1 1 81 81 PRO HD2 H . . . 1 1 81 81 PRO HA H . . . . . . . 3.7 . . . . . A . 81 PRO HD2 . . A . 81 PRO HA . . . 81 PRO HD2 . . . . . 81 PRO HA . . rr_1aqa 1 1516 1 . . 1 1 81 81 PRO HD3 H . . . 1 1 81 81 PRO HA H . . . . . . . 6.0 . . . . . A . 81 PRO HD3 . . A . 81 PRO HA . . . 81 PRO HD3 . . . . . 81 PRO HA . . rr_1aqa 1 1517 1 . . 1 1 82 82 ASP H H . . . 1 1 81 81 PRO HA H . . . . . . . 5.0 . . . . . A . 82 ASP H . . A . 81 PRO HA . . . 82 ASP- HN . . . . . 81 PRO HA . . rr_1aqa 1 1518 1 . . 1 1 81 81 PRO HA H . . . 1 1 84 84 ARG H H . . . . . . . 5.8 . . . . . A . 81 PRO HA . . A . 84 ARG H . . . 81 PRO HA . . . . . 84 ARG+ HN . . rr_1aqa 1 1519 1 OR . 1 1 81 81 PRO HA H . . . 1 1 84 84 ARG HB2 H . . . . . . . 6.3 . . . . . A . 81 PRO HA . . A . 84 ARG HB2 . . . 81 PRO HA . . . . . 84 ARG+ QB . . rr_1aqa 1 1519 2 OR . 1 1 84 84 ARG HB3 H . . . 1 1 81 81 PRO HA H . . . . . . . 6.3 . . . . . A . 84 ARG HB3 . . A . 81 PRO HA . . . 84 ARG+ QB . . . . . 81 PRO HA . . rr_1aqa 1 1520 1 OR . 1 1 81 81 PRO HA H . . . 1 1 84 84 ARG HG2 H . . . . . . . 7.0 . . . . . A . 81 PRO HA . . A . 84 ARG HG2 . . . 81 PRO HA . . . . . 84 ARG+ QG . . rr_1aqa 1 1520 2 OR . 1 1 81 81 PRO HA H . . . 1 1 84 84 ARG HG3 H . . . . . . . 7.0 . . . . . A . 81 PRO HA . . A . 84 ARG HG3 . . . 81 PRO HA . . . . . 84 ARG+ QG . . rr_1aqa 1 1521 1 OR . 1 1 81 81 PRO HB3 H . . . 1 1 81 81 PRO HG2 H . . . . . . . 6.6 . . . . . A . 81 PRO HB3 . . A . 81 PRO HG2 . . . 81 PRO QB . . . . . 81 PRO QG . . rr_1aqa 1 1521 2 OR . 1 1 81 81 PRO HB2 H . . . 1 1 81 81 PRO HG2 H . . . . . . . 6.6 . . . . . A . 81 PRO HB2 . . A . 81 PRO HG2 . . . 81 PRO QB . . . . . 81 PRO QG . . rr_1aqa 1 1521 3 OR . 1 1 81 81 PRO HG3 H . . . 1 1 81 81 PRO HB2 H . . . . . . . 6.6 . . . . . A . 81 PRO HG3 . . A . 81 PRO HB2 . . . 81 PRO QG . . . . . 81 PRO QB . . rr_1aqa 1 1521 4 OR . 1 1 81 81 PRO HB3 H . . . 1 1 81 81 PRO HG3 H . . . . . . . 6.6 . . . . . A . 81 PRO HB3 . . A . 81 PRO HG3 . . . 81 PRO QB . . . . . 81 PRO QG . . rr_1aqa 1 1522 1 OR . 1 1 81 81 PRO HD2 H . . . 1 1 81 81 PRO HB2 H . . . . . . . 4.4 . . . . . A . 81 PRO HD2 . . A . 81 PRO HB2 . . . 81 PRO HD2 . . . . . 81 PRO QB . . rr_1aqa 1 1522 2 OR . 1 1 81 81 PRO HD2 H . . . 1 1 81 81 PRO HB3 H . . . . . . . 4.4 . . . . . A . 81 PRO HD2 . . A . 81 PRO HB3 . . . 81 PRO HD2 . . . . . 81 PRO QB . . rr_1aqa 1 1523 1 OR . 1 1 81 81 PRO HD3 H . . . 1 1 81 81 PRO HB2 H . . . . . . . 5.8 . . . . . A . 81 PRO HD3 . . A . 81 PRO HB2 . . . 81 PRO HD3 . . . . . 81 PRO QB . . rr_1aqa 1 1523 2 OR . 1 1 81 81 PRO HD3 H . . . 1 1 81 81 PRO HB3 H . . . . . . . 5.8 . . . . . A . 81 PRO HD3 . . A . 81 PRO HB3 . . . 81 PRO HD3 . . . . . 81 PRO QB . . rr_1aqa 1 1524 1 OR . 1 1 82 82 ASP H H . . . 1 1 81 81 PRO HB2 H . . . . . . . 5.5 . . . . . A . 82 ASP H . . A . 81 PRO HB2 . . . 82 ASP- HN . . . . . 81 PRO QB . . rr_1aqa 1 1524 2 OR . 1 1 82 82 ASP H H . . . 1 1 81 81 PRO HB3 H . . . . . . . 5.5 . . . . . A . 82 ASP H . . A . 81 PRO HB3 . . . 82 ASP- HN . . . . . 81 PRO QB . . rr_1aqa 1 1525 1 OR . 1 1 81 81 PRO HB3 H . . . 1 1 82 82 ASP HB2 H . . . . . . . 8.0 . . . . . A . 81 PRO HB3 . . A . 82 ASP HB2 . . . 81 PRO QB . . . . . 82 ASP- QB . . rr_1aqa 1 1525 2 OR . 1 1 81 81 PRO HB2 H . . . 1 1 82 82 ASP HB2 H . . . . . . . 8.0 . . . . . A . 81 PRO HB2 . . A . 82 ASP HB2 . . . 81 PRO QB . . . . . 82 ASP- QB . . rr_1aqa 1 1525 3 OR . 1 1 82 82 ASP HB3 H . . . 1 1 81 81 PRO HB2 H . . . . . . . 8.0 . . . . . A . 82 ASP HB3 . . A . 81 PRO HB2 . . . 82 ASP- QB . . . . . 81 PRO QB . . rr_1aqa 1 1525 4 OR . 1 1 81 81 PRO HB3 H . . . 1 1 82 82 ASP HB3 H . . . . . . . 8.0 . . . . . A . 81 PRO HB3 . . A . 82 ASP HB3 . . . 81 PRO QB . . . . . 82 ASP- QB . . rr_1aqa 1 1526 1 OR . 1 1 83 83 ASP H H . . . 1 1 81 81 PRO HB2 H . . . . . . . 6.5 . . . . . A . 83 ASP H . . A . 81 PRO HB2 . . . 83 ASP- HN . . . . . 81 PRO QB . . rr_1aqa 1 1526 2 OR . 1 1 83 83 ASP H H . . . 1 1 81 81 PRO HB3 H . . . . . . . 6.5 . . . . . A . 83 ASP H . . A . 81 PRO HB3 . . . 83 ASP- HN . . . . . 81 PRO QB . . rr_1aqa 1 1527 1 OR . 1 1 81 81 PRO HD2 H . . . 1 1 81 81 PRO HG2 H . . . . . . . 7.0 . . . . . A . 81 PRO HD2 . . A . 81 PRO HG2 . . . 81 PRO HD2 . . . . . 81 PRO QG . . rr_1aqa 1 1527 2 OR . 1 1 81 81 PRO HD2 H . . . 1 1 81 81 PRO HG3 H . . . . . . . 7.0 . . . . . A . 81 PRO HD2 . . A . 81 PRO HG3 . . . 81 PRO HD2 . . . . . 81 PRO QG . . rr_1aqa 1 1528 1 OR . 1 1 81 81 PRO HD3 H . . . 1 1 81 81 PRO HG2 H . . . . . . . 5.3 . . . . . A . 81 PRO HD3 . . A . 81 PRO HG2 . . . 81 PRO HD3 . . . . . 81 PRO QG . . rr_1aqa 1 1528 2 OR . 1 1 81 81 PRO HD3 H . . . 1 1 81 81 PRO HG3 H . . . . . . . 5.3 . . . . . A . 81 PRO HD3 . . A . 81 PRO HG3 . . . 81 PRO HD3 . . . . . 81 PRO QG . . rr_1aqa 1 1529 1 OR . 1 1 81 81 PRO HG2 H . . . 1 1 82 82 ASP HB2 H . . . . . . . 8.0 . . . . . A . 81 PRO HG2 . . A . 82 ASP HB2 . . . 81 PRO QG . . . . . 82 ASP- QB . . rr_1aqa 1 1529 2 OR . 1 1 82 82 ASP HB3 H . . . 1 1 81 81 PRO HG2 H . . . . . . . 8.0 . . . . . A . 82 ASP HB3 . . A . 81 PRO HG2 . . . 82 ASP- QB . . . . . 81 PRO QG . . rr_1aqa 1 1529 3 OR . 1 1 81 81 PRO HG3 H . . . 1 1 82 82 ASP HB3 H . . . . . . . 8.0 . . . . . A . 81 PRO HG3 . . A . 82 ASP HB3 . . . 81 PRO QG . . . . . 82 ASP- QB . . rr_1aqa 1 1529 4 OR . 1 1 81 81 PRO HG3 H . . . 1 1 82 82 ASP HB2 H . . . . . . . 8.0 . . . . . A . 81 PRO HG3 . . A . 82 ASP HB2 . . . 81 PRO QG . . . . . 82 ASP- QB . . rr_1aqa 1 1530 1 . . 1 1 81 81 PRO HD2 H . . . 1 1 82 82 ASP H H . . . . . . . 6.0 . . . . . A . 81 PRO HD2 . . A . 82 ASP H . . . 81 PRO HD2 . . . . . 82 ASP- HN . . rr_1aqa 1 1531 1 . . 1 1 81 81 PRO HD3 H . . . 1 1 82 82 ASP H H . . . . . . . 6.0 . . . . . A . 81 PRO HD3 . . A . 82 ASP H . . . 81 PRO HD3 . . . . . 82 ASP- HN . . rr_1aqa 1 1532 1 . . 1 1 82 82 ASP H H . . . 1 1 82 82 ASP HA H . . . . . . . 5.1 . . . . . A . 82 ASP H . . A . 82 ASP HA . . . 82 ASP- HN . . . . . 82 ASP- HA . . rr_1aqa 1 1533 1 OR . 1 1 82 82 ASP H H . . . 1 1 82 82 ASP HB2 H . . . . . . . 4.7 . . . . . A . 82 ASP H . . A . 82 ASP HB2 . . . 82 ASP- HN . . . . . 82 ASP- QB . . rr_1aqa 1 1533 2 OR . 1 1 82 82 ASP H H . . . 1 1 82 82 ASP HB3 H . . . . . . . 4.7 . . . . . A . 82 ASP H . . A . 82 ASP HB3 . . . 82 ASP- HN . . . . . 82 ASP- QB . . rr_1aqa 1 1534 1 . . 1 1 83 83 ASP H H . . . 1 1 82 82 ASP H H . . . . . . . 3.5 . . . . . A . 83 ASP H . . A . 82 ASP H . . . 83 ASP- HN . . . . . 82 ASP- HN . . rr_1aqa 1 1535 1 . . 1 1 82 82 ASP H H . . . 1 1 84 84 ARG H H . . . . . . . 5.9 . . . . . A . 82 ASP H . . A . 84 ARG H . . . 82 ASP- HN . . . . . 84 ARG+ HN . . rr_1aqa 1 1536 1 OR . 1 1 82 82 ASP H H . . . 1 1 84 84 ARG HD2 H . . . . . . . 7.0 . . . . . A . 82 ASP H . . A . 84 ARG HD2 . . . 82 ASP- HN . . . . . 84 ARG+ QD . . rr_1aqa 1 1536 2 OR . 1 1 84 84 ARG HD3 H . . . 1 1 82 82 ASP H H . . . . . . . 7.0 . . . . . A . 84 ARG HD3 . . A . 82 ASP H . . . 84 ARG+ QD . . . . . 82 ASP- HN . . rr_1aqa 1 1537 1 OR . 1 1 82 82 ASP H H . . . 1 1 86 86 LYS HG2 H . . . . . . . 7.0 . . . . . A . 82 ASP H . . A . 86 LYS HG2 . . . 82 ASP- HN . . . . . 86 LYS+ QG . . rr_1aqa 1 1537 2 OR . 1 1 82 82 ASP H H . . . 1 1 86 86 LYS HG3 H . . . . . . . 7.0 . . . . . A . 82 ASP H . . A . 86 LYS HG3 . . . 82 ASP- HN . . . . . 86 LYS+ QG . . rr_1aqa 1 1538 1 OR . 1 1 82 82 ASP HA H . . . 1 1 82 82 ASP HB2 H . . . . . . . 4.6 . . . . . A . 82 ASP HA . . A . 82 ASP HB2 . . . 82 ASP- HA . . . . . 82 ASP- QB . . rr_1aqa 1 1538 2 OR . 1 1 82 82 ASP HB3 H . . . 1 1 82 82 ASP HA H . . . . . . . 4.6 . . . . . A . 82 ASP HB3 . . A . 82 ASP HA . . . 82 ASP- QB . . . . . 82 ASP- HA . . rr_1aqa 1 1539 1 . . 1 1 83 83 ASP H H . . . 1 1 82 82 ASP HA H . . . . . . . 4.6 . . . . . A . 83 ASP H . . A . 82 ASP HA . . . 83 ASP- HN . . . . . 82 ASP- HA . . rr_1aqa 1 1540 1 . . 1 1 84 84 ARG H H . . . 1 1 82 82 ASP HA H . . . . . . . 6.0 . . . . . A . 84 ARG H . . A . 82 ASP HA . . . 84 ARG+ HN . . . . . 82 ASP- HA . . rr_1aqa 1 1541 1 OR . 1 1 82 82 ASP HA H . . . 1 1 85 85 SER HB2 H . . . . . . . 7.0 . . . . . A . 82 ASP HA . . A . 85 SER HB2 . . . 82 ASP- HA . . . . . 85 SER QB . . rr_1aqa 1 1541 2 OR . 1 1 82 82 ASP HA H . . . 1 1 85 85 SER HB3 H . . . . . . . 7.0 . . . . . A . 82 ASP HA . . A . 85 SER HB3 . . . 82 ASP- HA . . . . . 85 SER QB . . rr_1aqa 1 1542 1 OR . 1 1 83 83 ASP H H . . . 1 1 82 82 ASP HB2 H . . . . . . . 5.8 . . . . . A . 83 ASP H . . A . 82 ASP HB2 . . . 83 ASP- HN . . . . . 82 ASP- QB . . rr_1aqa 1 1542 2 OR . 1 1 83 83 ASP H H . . . 1 1 82 82 ASP HB3 H . . . . . . . 5.8 . . . . . A . 83 ASP H . . A . 82 ASP HB3 . . . 83 ASP- HN . . . . . 82 ASP- QB . . rr_1aqa 1 1543 1 OR . 1 1 82 82 ASP HB3 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 8.0 . . . . . A . 82 ASP HB3 . . A . 84 ARG HB2 . . . 82 ASP- QB . . . . . 84 ARG+ QB . . rr_1aqa 1 1543 2 OR . 1 1 82 82 ASP HB2 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 8.0 . . . . . A . 82 ASP HB2 . . A . 84 ARG HB2 . . . 82 ASP- QB . . . . . 84 ARG+ QB . . rr_1aqa 1 1543 3 OR . 1 1 84 84 ARG HB3 H . . . 1 1 82 82 ASP HB2 H . . . . . . . 8.0 . . . . . A . 84 ARG HB3 . . A . 82 ASP HB2 . . . 84 ARG+ QB . . . . . 82 ASP- QB . . rr_1aqa 1 1543 4 OR . 1 1 84 84 ARG HB3 H . . . 1 1 82 82 ASP HB3 H . . . . . . . 8.0 . . . . . A . 84 ARG HB3 . . A . 82 ASP HB3 . . . 84 ARG+ QB . . . . . 82 ASP- QB . . rr_1aqa 1 1544 1 . . 1 1 83 83 ASP H H . . . 1 1 83 83 ASP HA H . . . . . . . 4.2 . . . . . A . 83 ASP H . . A . 83 ASP HA . . . 83 ASP- HN . . . . . 83 ASP- HA . . rr_1aqa 1 1545 1 OR . 1 1 83 83 ASP H H . . . 1 1 83 83 ASP HB2 H . . . . . . . 4.6 . . . . . A . 83 ASP H . . A . 83 ASP HB2 . . . 83 ASP- HN . . . . . 83 ASP- QB . . rr_1aqa 1 1545 2 OR . 1 1 83 83 ASP H H . . . 1 1 83 83 ASP HB3 H . . . . . . . 4.6 . . . . . A . 83 ASP H . . A . 83 ASP HB3 . . . 83 ASP- HN . . . . . 83 ASP- QB . . rr_1aqa 1 1546 1 . . 1 1 83 83 ASP H H . . . 1 1 84 84 ARG H H . . . . . . . 3.5 . . . . . A . 83 ASP H . . A . 84 ARG H . . . 83 ASP- HN . . . . . 84 ARG+ HN . . rr_1aqa 1 1547 1 . . 1 1 83 83 ASP H H . . . 1 1 84 84 ARG HA H . . . . . . . 5.4 . . . . . A . 83 ASP H . . A . 84 ARG HA . . . 83 ASP- HN . . . . . 84 ARG+ HA . . rr_1aqa 1 1548 1 . . 1 1 83 83 ASP H H . . . 1 1 85 85 SER H H . . . . . . . 6.0 . . . . . A . 83 ASP H . . A . 85 SER H . . . 83 ASP- HN . . . . . 85 SER HN . . rr_1aqa 1 1549 1 OR . 1 1 83 83 ASP HA H . . . 1 1 83 83 ASP HB2 H . . . . . . . 4.8 . . . . . A . 83 ASP HA . . A . 83 ASP HB2 . . . 83 ASP- HA . . . . . 83 ASP- QB . . rr_1aqa 1 1549 2 OR . 1 1 83 83 ASP HB3 H . . . 1 1 83 83 ASP HA H . . . . . . . 4.8 . . . . . A . 83 ASP HB3 . . A . 83 ASP HA . . . 83 ASP- QB . . . . . 83 ASP- HA . . rr_1aqa 1 1550 1 . . 1 1 83 83 ASP HA H . . . 1 1 84 84 ARG H H . . . . . . . 4.1 . . . . . A . 83 ASP HA . . A . 84 ARG H . . . 83 ASP- HA . . . . . 84 ARG+ HN . . rr_1aqa 1 1551 1 . . 1 1 83 83 ASP HA H . . . 1 1 86 86 LYS H H . . . . . . . 6.0 . . . . . A . 83 ASP HA . . A . 86 LYS H . . . 83 ASP- HA . . . . . 86 LYS+ HN . . rr_1aqa 1 1552 1 . . 1 1 86 86 LYS HA H . . . 1 1 83 83 ASP HA H . . . . . . . 6.0 . . . . . A . 86 LYS HA . . A . 83 ASP HA . . . 86 LYS+ HA . . . . . 83 ASP- HA . . rr_1aqa 1 1553 1 . . 1 1 86 86 LYS HB3 H . . . 1 1 83 83 ASP HA H . . . . . . . 4.8 . . . . . A . 86 LYS HB3 . . A . 83 ASP HA . . . 86 LYS+ HB3 . . . . . 83 ASP- HA . . rr_1aqa 1 1554 1 OR . 1 1 83 83 ASP HA H . . . 1 1 86 86 LYS HG2 H . . . . . . . 7.0 . . . . . A . 83 ASP HA . . A . 86 LYS HG2 . . . 83 ASP- HA . . . . . 86 LYS+ QG . . rr_1aqa 1 1554 2 OR . 1 1 83 83 ASP HA H . . . 1 1 86 86 LYS HG3 H . . . . . . . 7.0 . . . . . A . 83 ASP HA . . A . 86 LYS HG3 . . . 83 ASP- HA . . . . . 86 LYS+ QG . . rr_1aqa 1 1555 1 OR . 1 1 83 83 ASP HA H . . . 1 1 86 86 LYS HE2 H . . . . . . . 7.0 . . . . . A . 83 ASP HA . . A . 86 LYS HE2 . . . 83 ASP- HA . . . . . 86 LYS+ QE . . rr_1aqa 1 1555 2 OR . 1 1 86 86 LYS HE3 H . . . 1 1 83 83 ASP HA H . . . . . . . 7.0 . . . . . A . 86 LYS HE3 . . A . 83 ASP HA . . . 86 LYS+ QE . . . . . 83 ASP- HA . . rr_1aqa 1 1556 1 OR . 1 1 86 86 LYS HB3 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 7.0 . . . . . A . 86 LYS HB3 . . A . 83 ASP HB2 . . . 86 LYS+ HB3 . . . . . 83 ASP- QB . . rr_1aqa 1 1556 2 OR . 1 1 83 83 ASP HB3 H . . . 1 1 86 86 LYS HB3 H . . . . . . . 7.0 . . . . . A . 83 ASP HB3 . . A . 86 LYS HB3 . . . 83 ASP- QB . . . . . 86 LYS+ HB3 . . rr_1aqa 1 1557 1 OR . 1 1 83 83 ASP HB3 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 7.3 . . . . . A . 83 ASP HB3 . . A . 86 LYS HE2 . . . 83 ASP- QB . . . . . 86 LYS+ QE . . rr_1aqa 1 1557 2 OR . 1 1 83 83 ASP HB2 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 7.3 . . . . . A . 83 ASP HB2 . . A . 86 LYS HE2 . . . 83 ASP- QB . . . . . 86 LYS+ QE . . rr_1aqa 1 1557 3 OR . 1 1 86 86 LYS HE3 H . . . 1 1 83 83 ASP HB2 H . . . . . . . 7.3 . . . . . A . 86 LYS HE3 . . A . 83 ASP HB2 . . . 86 LYS+ QE . . . . . 83 ASP- QB . . rr_1aqa 1 1557 4 OR . 1 1 83 83 ASP HB3 H . . . 1 1 86 86 LYS HE3 H . . . . . . . 7.3 . . . . . A . 83 ASP HB3 . . A . 86 LYS HE3 . . . 83 ASP- QB . . . . . 86 LYS+ QE . . rr_1aqa 1 1558 1 OR . 1 1 87 87 ILE MD H . . . 1 1 83 83 ASP HB2 H . . . . . . . 8.0 . . . . . A . 87 ILE MD . . A . 83 ASP HB2 . . . 87 ILE QD1 . . . . . 83 ASP- QB . . rr_1aqa 1 1558 2 OR . 1 1 83 83 ASP HB3 H . . . 1 1 87 87 ILE MD H . . . . . . . 8.0 . . . . . A . 83 ASP HB3 . . A . 87 ILE MD . . . 83 ASP- QB . . . . . 87 ILE QD1 . . rr_1aqa 1 1559 1 . . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG H H . . . . . . . 4.0 . . . . . A . 84 ARG HA . . A . 84 ARG H . . . 84 ARG+ HA . . . . . 84 ARG+ HN . . rr_1aqa 1 1560 1 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HB2 H . . . . . . . 3.8 . . . . . A . 84 ARG H . . A . 84 ARG HB2 . . . 84 ARG+ HN . . . . . 84 ARG+ QB . . rr_1aqa 1 1560 2 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG H H . . . . . . . 3.8 . . . . . A . 84 ARG HB3 . . A . 84 ARG H . . . 84 ARG+ QB . . . . . 84 ARG+ HN . . rr_1aqa 1 1561 1 OR . 1 1 84 84 ARG H H . . . 1 1 84 84 ARG HD2 H . . . . . . . 7.0 . . . . . A . 84 ARG H . . A . 84 ARG HD2 . . . 84 ARG+ HN . . . . . 84 ARG+ QD . . rr_1aqa 1 1561 2 OR . 1 1 84 84 ARG HD3 H . . . 1 1 84 84 ARG H H . . . . . . . 7.0 . . . . . A . 84 ARG HD3 . . A . 84 ARG H . . . 84 ARG+ QD . . . . . 84 ARG+ HN . . rr_1aqa 1 1562 1 OR . 1 1 84 84 ARG H H . . . 1 1 86 86 LYS HG2 H . . . . . . . 7.0 . . . . . A . 84 ARG H . . A . 86 LYS HG2 . . . 84 ARG+ HN . . . . . 86 LYS+ QG . . rr_1aqa 1 1562 2 OR . 1 1 84 84 ARG H H . . . 1 1 86 86 LYS HG3 H . . . . . . . 7.0 . . . . . A . 84 ARG H . . A . 86 LYS HG3 . . . 84 ARG+ HN . . . . . 86 LYS+ QG . . rr_1aqa 1 1563 1 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HB2 H . . . . . . . 3.8 . . . . . A . 84 ARG HA . . A . 84 ARG HB2 . . . 84 ARG+ HA . . . . . 84 ARG+ QB . . rr_1aqa 1 1563 2 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HA H . . . . . . . 3.8 . . . . . A . 84 ARG HB3 . . A . 84 ARG HA . . . 84 ARG+ QB . . . . . 84 ARG+ HA . . rr_1aqa 1 1564 1 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HG2 H . . . . . . . 6.6 . . . . . A . 84 ARG HA . . A . 84 ARG HG2 . . . 84 ARG+ HA . . . . . 84 ARG+ QG . . rr_1aqa 1 1564 2 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HG3 H . . . . . . . 6.6 . . . . . A . 84 ARG HA . . A . 84 ARG HG3 . . . 84 ARG+ HA . . . . . 84 ARG+ QG . . rr_1aqa 1 1565 1 OR . 1 1 84 84 ARG HA H . . . 1 1 84 84 ARG HD2 H . . . . . . . 6.6 . . . . . A . 84 ARG HA . . A . 84 ARG HD2 . . . 84 ARG+ HA . . . . . 84 ARG+ QD . . rr_1aqa 1 1565 2 OR . 1 1 84 84 ARG HD3 H . . . 1 1 84 84 ARG HA H . . . . . . . 6.6 . . . . . A . 84 ARG HD3 . . A . 84 ARG HA . . . 84 ARG+ QD . . . . . 84 ARG+ HA . . rr_1aqa 1 1566 1 . . 1 1 84 84 ARG HA H . . . 1 1 85 85 SER H H . . . . . . . 5.1 . . . . . A . 84 ARG HA . . A . 85 SER H . . . 84 ARG+ HA . . . . . 85 SER HN . . rr_1aqa 1 1567 1 . . 1 1 84 84 ARG HA H . . . 1 1 85 85 SER HA H . . . . . . . 4.4 . . . . . A . 84 ARG HA . . A . 85 SER HA . . . 84 ARG+ HA . . . . . 85 SER HA . . rr_1aqa 1 1568 1 . . 1 1 84 84 ARG HA H . . . 1 1 87 87 ILE H H . . . . . . . 5.7 . . . . . A . 84 ARG HA . . A . 87 ILE H . . . 84 ARG+ HA . . . . . 87 ILE HN . . rr_1aqa 1 1569 1 OR . 1 1 84 84 ARG HB2 H . . . 1 1 84 84 ARG HG2 H . . . . . . . 6.2 . . . . . A . 84 ARG HB2 . . A . 84 ARG HG2 . . . 84 ARG+ QB . . . . . 84 ARG+ QG . . rr_1aqa 1 1569 2 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HG2 H . . . . . . . 6.2 . . . . . A . 84 ARG HB3 . . A . 84 ARG HG2 . . . 84 ARG+ QB . . . . . 84 ARG+ QG . . rr_1aqa 1 1569 3 OR . 1 1 84 84 ARG HG3 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 6.2 . . . . . A . 84 ARG HG3 . . A . 84 ARG HB2 . . . 84 ARG+ QG . . . . . 84 ARG+ QB . . rr_1aqa 1 1569 4 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HG3 H . . . . . . . 6.2 . . . . . A . 84 ARG HB3 . . A . 84 ARG HG3 . . . 84 ARG+ QB . . . . . 84 ARG+ QG . . rr_1aqa 1 1570 1 OR . 1 1 84 84 ARG HB2 H . . . 1 1 84 84 ARG HD2 H . . . . . . . 6.3 . . . . . A . 84 ARG HB2 . . A . 84 ARG HD2 . . . 84 ARG+ QB . . . . . 84 ARG+ QD . . rr_1aqa 1 1570 2 OR . 1 1 84 84 ARG HD3 H . . . 1 1 84 84 ARG HB2 H . . . . . . . 6.3 . . . . . A . 84 ARG HD3 . . A . 84 ARG HB2 . . . 84 ARG+ QD . . . . . 84 ARG+ QB . . rr_1aqa 1 1570 3 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HD3 H . . . . . . . 6.3 . . . . . A . 84 ARG HB3 . . A . 84 ARG HD3 . . . 84 ARG+ QB . . . . . 84 ARG+ QD . . rr_1aqa 1 1570 4 OR . 1 1 84 84 ARG HB3 H . . . 1 1 84 84 ARG HD2 H . . . . . . . 6.3 . . . . . A . 84 ARG HB3 . . A . 84 ARG HD2 . . . 84 ARG+ QB . . . . . 84 ARG+ QD . . rr_1aqa 1 1571 1 OR . 1 1 84 84 ARG HD3 H . . . 1 1 84 84 ARG HG2 H . . . . . . . 6.6 . . . . . A . 84 ARG HD3 . . A . 84 ARG HG2 . . . 84 ARG+ QD . . . . . 84 ARG+ QG . . rr_1aqa 1 1571 2 OR . 1 1 84 84 ARG HD2 H . . . 1 1 84 84 ARG HG2 H . . . . . . . 6.6 . . . . . A . 84 ARG HD2 . . A . 84 ARG HG2 . . . 84 ARG+ QD . . . . . 84 ARG+ QG . . rr_1aqa 1 1571 3 OR . 1 1 84 84 ARG HG3 H . . . 1 1 84 84 ARG HD2 H . . . . . . . 6.6 . . . . . A . 84 ARG HG3 . . A . 84 ARG HD2 . . . 84 ARG+ QG . . . . . 84 ARG+ QD . . rr_1aqa 1 1571 4 OR . 1 1 84 84 ARG HD3 H . . . 1 1 84 84 ARG HG3 H . . . . . . . 6.6 . . . . . A . 84 ARG HD3 . . A . 84 ARG HG3 . . . 84 ARG+ QD . . . . . 84 ARG+ QG . . rr_1aqa 1 1572 1 . . 1 1 85 85 SER H H . . . 1 1 85 85 SER HA H . . . . . . . 5.0 . . . . . A . 85 SER H . . A . 85 SER HA . . . 85 SER HN . . . . . 85 SER HA . . rr_1aqa 1 1573 1 OR . 1 1 85 85 SER H H . . . 1 1 85 85 SER HB2 H . . . . . . . 5.5 . . . . . A . 85 SER H . . A . 85 SER HB2 . . . 85 SER HN . . . . . 85 SER QB . . rr_1aqa 1 1573 2 OR . 1 1 85 85 SER HB3 H . . . 1 1 85 85 SER H H . . . . . . . 5.5 . . . . . A . 85 SER HB3 . . A . 85 SER H . . . 85 SER QB . . . . . 85 SER HN . . rr_1aqa 1 1574 1 OR . 1 1 85 85 SER HA H . . . 1 1 85 85 SER HB2 H . . . . . . . 5.9 . . . . . A . 85 SER HA . . A . 85 SER HB2 . . . 85 SER HA . . . . . 85 SER QB . . rr_1aqa 1 1574 2 OR . 1 1 85 85 SER HB3 H . . . 1 1 85 85 SER HA H . . . . . . . 5.9 . . . . . A . 85 SER HB3 . . A . 85 SER HA . . . 85 SER QB . . . . . 85 SER HA . . rr_1aqa 1 1575 1 OR . 1 1 86 86 LYS HA H . . . 1 1 85 85 SER HB2 H . . . . . . . 6.3 . . . . . A . 86 LYS HA . . A . 85 SER HB2 . . . 86 LYS+ HA . . . . . 85 SER QB . . rr_1aqa 1 1575 2 OR . 1 1 86 86 LYS HA H . . . 1 1 85 85 SER HB3 H . . . . . . . 6.3 . . . . . A . 86 LYS HA . . A . 85 SER HB3 . . . 86 LYS+ HA . . . . . 85 SER QB . . rr_1aqa 1 1576 1 . . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS H H . . . . . . . 4.2 . . . . . A . 86 LYS HA . . A . 86 LYS H . . . 86 LYS+ HA . . . . . 86 LYS+ HN . . rr_1aqa 1 1577 1 . . 1 1 86 86 LYS H H . . . 1 1 86 86 LYS HB2 H . . . . . . . 3.6 . . . . . A . 86 LYS H . . A . 86 LYS HB2 . . . 86 LYS+ HN . . . . . 86 LYS+ HB2 . . rr_1aqa 1 1578 1 . . 1 1 86 86 LYS HB3 H . . . 1 1 86 86 LYS H H . . . . . . . 3.6 . . . . . A . 86 LYS HB3 . . A . 86 LYS H . . . 86 LYS+ HB3 . . . . . 86 LYS+ HN . . rr_1aqa 1 1579 1 OR . 1 1 86 86 LYS H H . . . 1 1 86 86 LYS HG2 H . . . . . . . 5.5 . . . . . A . 86 LYS H . . A . 86 LYS HG2 . . . 86 LYS+ HN . . . . . 86 LYS+ QG . . rr_1aqa 1 1579 2 OR . 1 1 86 86 LYS HG3 H . . . 1 1 86 86 LYS H H . . . . . . . 5.5 . . . . . A . 86 LYS HG3 . . A . 86 LYS H . . . 86 LYS+ QG . . . . . 86 LYS+ HN . . rr_1aqa 1 1580 1 . . 1 1 86 86 LYS H H . . . 1 1 87 87 ILE H H . . . . . . . 4.5 . . . . . A . 86 LYS H . . A . 87 ILE H . . . 86 LYS+ HN . . . . . 87 ILE HN . . rr_1aqa 1 1581 1 . . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS HB3 H . . . . . . . 3.0 . . . . . A . 86 LYS HA . . A . 86 LYS HB3 . . . 86 LYS+ HA . . . . . 86 LYS+ HB3 . . rr_1aqa 1 1582 1 OR . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS HG2 H . . . . . . . 5.6 . . . . . A . 86 LYS HA . . A . 86 LYS HG2 . . . 86 LYS+ HA . . . . . 86 LYS+ QG . . rr_1aqa 1 1582 2 OR . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS HG3 H . . . . . . . 5.6 . . . . . A . 86 LYS HA . . A . 86 LYS HG3 . . . 86 LYS+ HA . . . . . 86 LYS+ QG . . rr_1aqa 1 1583 1 OR . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS HE2 H . . . . . . . 6.6 . . . . . A . 86 LYS HA . . A . 86 LYS HE2 . . . 86 LYS+ HA . . . . . 86 LYS+ QE . . rr_1aqa 1 1583 2 OR . 1 1 86 86 LYS HA H . . . 1 1 86 86 LYS HE3 H . . . . . . . 6.6 . . . . . A . 86 LYS HA . . A . 86 LYS HE3 . . . 86 LYS+ HA . . . . . 86 LYS+ QE . . rr_1aqa 1 1584 1 . . 1 1 86 86 LYS HA H . . . 1 1 87 87 ILE H H . . . . . . . 4.1 . . . . . A . 86 LYS HA . . A . 87 ILE H . . . 86 LYS+ HA . . . . . 87 ILE HN . . rr_1aqa 1 1585 1 OR . 1 1 86 86 LYS HB2 H . . . 1 1 86 86 LYS HG2 H . . . . . . . 5.7 . . . . . A . 86 LYS HB2 . . A . 86 LYS HG2 . . . 86 LYS+ HB2 . . . . . 86 LYS+ QG . . rr_1aqa 1 1585 2 OR . 1 1 86 86 LYS HG3 H . . . 1 1 86 86 LYS HB2 H . . . . . . . 5.7 . . . . . A . 86 LYS HG3 . . A . 86 LYS HB2 . . . 86 LYS+ QG . . . . . 86 LYS+ HB2 . . rr_1aqa 1 1586 1 OR . 1 1 86 86 LYS HB3 H . . . 1 1 86 86 LYS HG2 H . . . . . . . 5.4 . . . . . A . 86 LYS HB3 . . A . 86 LYS HG2 . . . 86 LYS+ HB3 . . . . . 86 LYS+ QG . . rr_1aqa 1 1586 2 OR . 1 1 86 86 LYS HB3 H . . . 1 1 86 86 LYS HG3 H . . . . . . . 5.4 . . . . . A . 86 LYS HB3 . . A . 86 LYS HG3 . . . 86 LYS+ HB3 . . . . . 86 LYS+ QG . . rr_1aqa 1 1587 1 OR . 1 1 86 86 LYS HB3 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 5.6 . . . . . A . 86 LYS HB3 . . A . 86 LYS HE2 . . . 86 LYS+ HB3 . . . . . 86 LYS+ QE . . rr_1aqa 1 1587 2 OR . 1 1 86 86 LYS HB3 H . . . 1 1 86 86 LYS HE3 H . . . . . . . 5.6 . . . . . A . 86 LYS HB3 . . A . 86 LYS HE3 . . . 86 LYS+ HB3 . . . . . 86 LYS+ QE . . rr_1aqa 1 1588 1 . . 1 1 86 86 LYS HB3 H . . . 1 1 87 87 ILE H H . . . . . . . 4.5 . . . . . A . 86 LYS HB3 . . A . 87 ILE H . . . 86 LYS+ HB3 . . . . . 87 ILE HN . . rr_1aqa 1 1589 1 . . 1 1 86 86 LYS HB3 H . . . 1 1 87 87 ILE HA H . . . . . . . 3.6 . . . . . A . 86 LYS HB3 . . A . 87 ILE HA . . . 86 LYS+ HB3 . . . . . 87 ILE HA . . rr_1aqa 1 1590 1 OR . 1 1 86 86 LYS HE3 H . . . 1 1 86 86 LYS HG2 H . . . . . . . 7.5 . . . . . A . 86 LYS HE3 . . A . 86 LYS HG2 . . . 86 LYS+ QE . . . . . 86 LYS+ QG . . rr_1aqa 1 1590 2 OR . 1 1 86 86 LYS HG3 H . . . 1 1 86 86 LYS HE2 H . . . . . . . 7.5 . . . . . A . 86 LYS HG3 . . A . 86 LYS HE2 . . . 86 LYS+ QG . . . . . 86 LYS+ QE . . rr_1aqa 1 1590 3 OR . 1 1 86 86 LYS HE3 H . . . 1 1 86 86 LYS HG3 H . . . . . . . 7.5 . . . . . A . 86 LYS HE3 . . A . 86 LYS HG3 . . . 86 LYS+ QE . . . . . 86 LYS+ QG . . rr_1aqa 1 1590 4 OR . 1 1 86 86 LYS HE2 H . . . 1 1 86 86 LYS HG2 H . . . . . . . 7.5 . . . . . A . 86 LYS HE2 . . A . 86 LYS HG2 . . . 86 LYS+ QE . . . . . 86 LYS+ QG . . rr_1aqa 1 1591 1 . . 1 1 87 87 ILE H H . . . 1 1 87 87 ILE HA H . . . . . . . 4.0 . . . . . A . 87 ILE H . . A . 87 ILE HA . . . 87 ILE HN . . . . . 87 ILE HA . . rr_1aqa 1 1592 1 . . 1 1 87 87 ILE HB H . . . 1 1 87 87 ILE H H . . . . . . . 3.7 . . . . . A . 87 ILE HB . . A . 87 ILE H . . . 87 ILE HB . . . . . 87 ILE HN . . rr_1aqa 1 1593 1 OR . 1 1 87 87 ILE H H . . . 1 1 87 87 ILE HG12 H . . . . . . . 5.9 . . . . . A . 87 ILE H . . A . 87 ILE HG12 . . . 87 ILE HN . . . . . 87 ILE QG1 . . rr_1aqa 1 1593 2 OR . 1 1 87 87 ILE HG13 H . . . 1 1 87 87 ILE H H . . . . . . . 5.9 . . . . . A . 87 ILE HG13 . . A . 87 ILE H . . . 87 ILE QG1 . . . . . 87 ILE HN . . rr_1aqa 1 1594 1 . . 1 1 87 87 ILE MD H . . . 1 1 87 87 ILE H H . . . . . . . 4.0 . . . . . A . 87 ILE MD . . A . 87 ILE H . . . 87 ILE QD1 . . . . . 87 ILE HN . . rr_1aqa 1 1595 1 . . 1 1 87 87 ILE H H . . . 1 1 88 88 ALA H H . . . . . . . 4.3 . . . . . A . 87 ILE H . . A . 88 ALA H . . . 87 ILE HN . . . . . 88 ALA HN . . rr_1aqa 1 1596 1 . . 1 1 87 87 ILE HB H . . . 1 1 87 87 ILE HA H . . . . . . . 3.6 . . . . . A . 87 ILE HB . . A . 87 ILE HA . . . 87 ILE HB . . . . . 87 ILE HA . . rr_1aqa 1 1597 1 OR . 1 1 87 87 ILE HA H . . . 1 1 87 87 ILE HG12 H . . . . . . . 4.7 . . . . . A . 87 ILE HA . . A . 87 ILE HG12 . . . 87 ILE HA . . . . . 87 ILE QG1 . . rr_1aqa 1 1597 2 OR . 1 1 87 87 ILE HG13 H . . . 1 1 87 87 ILE HA H . . . . . . . 4.7 . . . . . A . 87 ILE HG13 . . A . 87 ILE HA . . . 87 ILE QG1 . . . . . 87 ILE HA . . rr_1aqa 1 1598 1 . . 1 1 87 87 ILE MD H . . . 1 1 87 87 ILE HA H . . . . . . . 4.6 . . . . . A . 87 ILE MD . . A . 87 ILE HA . . . 87 ILE QD1 . . . . . 87 ILE HA . . rr_1aqa 1 1599 1 . . 1 1 87 87 ILE HA H . . . 1 1 88 88 ALA H H . . . . . . . 3.9 . . . . . A . 87 ILE HA . . A . 88 ALA H . . . 87 ILE HA . . . . . 88 ALA HN . . rr_1aqa 1 1600 1 OR . 1 1 87 87 ILE HB H . . . 1 1 87 87 ILE HG12 H . . . . . . . 4.8 . . . . . A . 87 ILE HB . . A . 87 ILE HG12 . . . 87 ILE HB . . . . . 87 ILE QG1 . . rr_1aqa 1 1600 2 OR . 1 1 87 87 ILE HG13 H . . . 1 1 87 87 ILE HB H . . . . . . . 4.8 . . . . . A . 87 ILE HG13 . . A . 87 ILE HB . . . 87 ILE QG1 . . . . . 87 ILE HB . . rr_1aqa 1 1601 1 . . 1 1 87 87 ILE MD H . . . 1 1 87 87 ILE HB H . . . . . . . 5.4 . . . . . A . 87 ILE MD . . A . 87 ILE HB . . . 87 ILE QD1 . . . . . 87 ILE HB . . rr_1aqa 1 1602 1 . . 1 1 87 87 ILE HB H . . . 1 1 88 88 ALA H H . . . . . . . 4.7 . . . . . A . 87 ILE HB . . A . 88 ALA H . . . 87 ILE HB . . . . . 88 ALA HN . . rr_1aqa 1 1603 1 OR . 1 1 87 87 ILE MD H . . . 1 1 87 87 ILE HG12 H . . . . . . . 5.5 . . . . . A . 87 ILE MD . . A . 87 ILE HG12 . . . 87 ILE QD1 . . . . . 87 ILE QG1 . . rr_1aqa 1 1603 2 OR . 1 1 87 87 ILE MD H . . . 1 1 87 87 ILE HG13 H . . . . . . . 5.5 . . . . . A . 87 ILE MD . . A . 87 ILE HG13 . . . 87 ILE QD1 . . . . . 87 ILE QG1 . . rr_1aqa 1 1604 1 OR . 1 1 88 88 ALA H H . . . 1 1 87 87 ILE HG12 H . . . . . . . 7.0 . . . . . A . 88 ALA H . . A . 87 ILE HG12 . . . 88 ALA HN . . . . . 87 ILE QG1 . . rr_1aqa 1 1604 2 OR . 1 1 87 87 ILE HG13 H . . . 1 1 88 88 ALA H H . . . . . . . 7.0 . . . . . A . 87 ILE HG13 . . A . 88 ALA H . . . 87 ILE QG1 . . . . . 88 ALA HN . . rr_1aqa 1 1605 1 . . 1 1 88 88 ALA H H . . . 1 1 88 88 ALA HA H . . . . . . . 4.1 . . . . . A . 88 ALA H . . A . 88 ALA HA . . . 88 ALA HN . . . . . 88 ALA HA . . rr_1aqa 1 1606 1 . . 1 1 88 88 ALA H H . . . 1 1 88 88 ALA MB H . . . . . . . 3.4 . . . . . A . 88 ALA H . . A . 88 ALA MB . . . 88 ALA HN . . . . . 88 ALA QB . . rr_1aqa 1 1607 1 . . 1 1 88 88 ALA HA H . . . 1 1 88 88 ALA MB H . . . . . . . 3.4 . . . . . A . 88 ALA HA . . A . 88 ALA MB . . . 88 ALA HA . . . . . 88 ALA QB . . rr_1aqa 1 1608 1 . . 1 1 88 88 ALA HA H . . . 1 1 89 89 LYS H H . . . . . . . 3.8 . . . . . A . 88 ALA HA . . . . . . . . . . 88 ALA HA . . . . . 89 LYS+ HN . . rr_1aqa 1 1609 1 . . 1 1 88 88 ALA MB H . . . 1 1 89 89 LYS H H . . . . . . . 4.2 . . . . . A . 88 ALA MB . . . . . . . . . . 88 ALA QB . . . . . 89 LYS+ HN . . rr_1aqa 1 1610 1 . . 1 1 89 89 LYS H H . . . 1 1 89 89 LYS HA H . . . . . . . 4.4 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HN . . . . . 89 LYS+ HA . . rr_1aqa 1 1611 1 OR . 1 1 89 89 LYS H H . . . 1 1 89 89 LYS HB2 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HN . . . . . 89 LYS+ QB . . rr_1aqa 1 1611 2 OR . 1 1 89 89 LYS H H . . . 1 1 89 89 LYS HB3 H . . . . . . . 5.1 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HN . . . . . 89 LYS+ QB . . rr_1aqa 1 1612 1 OR . 1 1 89 89 LYS H H . . . 1 1 89 89 LYS HG2 H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HN . . . . . 89 LYS+ QG . . rr_1aqa 1 1612 2 OR . 1 1 89 89 LYS H H . . . 1 1 89 89 LYS HG3 H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HN . . . . . 89 LYS+ QG . . rr_1aqa 1 1613 1 OR . 1 1 89 89 LYS HA H . . . 1 1 89 89 LYS HG2 H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HA . . . . . 89 LYS+ QG . . rr_1aqa 1 1613 2 OR . 1 1 89 89 LYS HA H . . . 1 1 89 89 LYS HG3 H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 89 LYS+ HA . . . . . 89 LYS+ QG . . rr_1aqa 1 1614 1 OR . 1 1 89 89 LYS HB2 H . . . 1 1 89 89 LYS HG2 H . . . . . . . 6.4 . . . . . . . . . . . . . . . . . . . . 89 LYS+ QB . . . . . 89 LYS+ QG . . rr_1aqa 1 1614 2 OR . 1 1 89 89 LYS HB3 H . . . 1 1 89 89 LYS HG2 H . . . . . . . 6.4 . . . . . . . . . . . . . . . . . . . . 89 LYS+ QB . . . . . 89 LYS+ QG . . rr_1aqa 1 1614 3 OR . 1 1 89 89 LYS HG3 H . . . 1 1 89 89 LYS HB2 H . . . . . . . 6.4 . . . . . . . . . . . . . . . . . . . . 89 LYS+ QG . . . . . 89 LYS+ QB . . rr_1aqa 1 1614 4 OR . 1 1 89 89 LYS HB3 H . . . 1 1 89 89 LYS HG3 H . . . . . . . 6.4 . . . . . . . . . . . . . . . . . . . . 89 LYS+ QB . . . . . 89 LYS+ QG . . rr_1aqa 1 1615 1 . . 1 1 91 91 SER H H . . . 1 1 91 91 SER HA H . . . . . . . 6.0 . . . . . . . . . . . . . . . . . . . . 91 SER HN . . . . . 91 SER HA . . rr_1aqa 1 1616 1 OR . 1 1 91 91 SER H H . . . 1 1 91 91 SER HB2 H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 91 SER HN . . . . . 91 SER QB . . rr_1aqa 1 1616 2 OR . 1 1 91 91 SER H H . . . 1 1 91 91 SER HB3 H . . . . . . . 6.6 . . . . . . . . . . . . . . . . . . . . 91 SER HN . . . . . 91 SER QB . . rr_1aqa 1 1617 1 . . 1 1 91 91 SER HA H . . . 1 1 92 92 GLU H H . . . . . . . 4.9 . . . . . . . . . . . . . . . . . . . . 91 SER HA . . . . . 92 GLU- HN . . rr_1aqa 1 1618 1 OR . 1 1 92 92 GLU H H . . . 1 1 91 91 SER HB2 H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 92 GLU- HN . . . . . 91 SER QB . . rr_1aqa 1 1618 2 OR . 1 1 91 91 SER HB3 H . . . 1 1 92 92 GLU H H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 91 SER QB . . . . . 92 GLU- HN . . rr_1aqa 1 1619 1 . . 1 1 92 92 GLU H H . . . 1 1 92 92 GLU HB2 H . . . . . . . 6.0 . . . . . . . . . . . . . . . . . . . . 92 GLU- HN . . . . . 92 GLU- HB2 . . rr_1aqa 1 1620 1 . . 1 1 92 92 GLU H H . . . 1 1 92 92 GLU HB3 H . . . . . . . 5.9 . . . . . . . . . . . . . . . . . . . . 92 GLU- HN . . . . . 92 GLU- HB3 . . rr_1aqa 1 1621 1 OR . 1 1 92 92 GLU H H . . . 1 1 92 92 GLU HG2 H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 92 GLU- HN . . . . . 92 GLU- QG . . rr_1aqa 1 1621 2 OR . 1 1 92 92 GLU H H . . . 1 1 92 92 GLU HG3 H . . . . . . . 7.0 . . . . . . . . . . . . . . . . . . . . 92 GLU- HN . . . . . 92 GLU- QG . . rr_1aqa 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 '2 2871.8 e only800 3227' 4 39 4 74 rr_1aqa 1 2 '2 4500.7 e only800 3225' 5 39 5 74 rr_1aqa 1 3 '2 5665.8 e only800 3226' 6 39 6 74 rr_1aqa 1 4 '2 7728.5 e only800 3228' 7 39 7 74 rr_1aqa 1 5 '2 4234.0 e prova 1134' 9 39 9 74 rr_1aqa 1 6 'i 2 9530.0*2e prova 1135' 10 39 10 74 rr_1aqa 1 7 'm 2 14665.0*2e prova 1136' 11 39 11 74 rr_1aqa 1 8 'i 1 6890.0*2e prova 1138' 12 39 12 74 rr_1aqa 1 9 'm 1 37240.0*2e prova 1137' 13 39 13 74 rr_1aqa 1 10 'mm 1 15370.0*4e prova 1140' 14 39 14 74 rr_1aqa 1 11 'mm 1 13367.5*4e prova 1139' 15 39 15 74 rr_1aqa 1 12 'm 2 2587.5*2e prova 1133 HN3,QB2' 16 39 16 82 rr_1aqa 1 13 'mm 1 14197.5*4e prova 1142' 17 39 17 74 rr_1aqa 1 14 '2 3248.0 e prova 1088' 19 39 19 74 rr_1aqa 1 15 '2 31820.0 e prova 1087' 20 38 20 74 rr_1aqa 1 16 '2 8490.0 e prova 1093 ASP 3' 21 38 21 80 rr_1aqa 1 17 '2 5629.0 e prova 1091' 22 39 22 74 rr_1aqa 1 18 '2 2480.0 e prova 1229' 23 39 23 74 rr_1aqa 1 19 '2 4493.0 e prova 1230' 24 39 24 74 rr_1aqa 1 20 '2 17350.0 e prova 11' 26 39 26 74 rr_1aqa 1 21 '2 35490.0 e prova 2' 27 39 27 74 rr_1aqa 1 22 '1M 29960.0 e prova 3' 28 39 28 74 rr_1aqa 1 23 '1M 13190.0 e prova 4' 29 39 29 74 rr_1aqa 1 24 '2 48280.0 e prova 5' 30 39 30 74 rr_1aqa 1 25 '1M 45480.0 e prova 6' 31 39 31 74 rr_1aqa 1 26 '1M 40930.0 e prova 7' 32 39 32 74 rr_1aqa 1 27 '2 3058.0 e prova 1231' 33 39 33 74 rr_1aqa 1 28 '2 6348.0 e prova 1085' 34 39 34 74 rr_1aqa 1 29 'm w 5 1787.5*2e prova 2829' 35 39 35 74 rr_1aqa 1 30 'r w 5 6560.0*2e prova 2538' 36 39 36 74 rr_1aqa 1 31 '4 4144.0 e prova 1628' 37 39 37 74 rr_1aqa 1 32 '1M 41490.0 e prova 8' 38 39 38 74 rr_1aqa 1 33 '1M 34930.0 e prova 9' 39 39 39 74 rr_1aqa 1 34 'w 5M 3330.0 e prova 1626' 40 39 40 74 rr_1aqa 1 35 'r 5M 9475.0*2e prova 1623' 41 39 41 74 rr_1aqa 1 36 'r 5M 4814.5*2e prova 1616' 42 39 42 74 rr_1aqa 1 37 'w 5M 2770.0 e prova 1618' 43 39 43 74 rr_1aqa 1 38 'w 5M 2002.0 e prova 1617' 44 39 44 74 rr_1aqa 1 39 'w 5M 794.0 e prova 1622' 45 38 45 74 rr_1aqa 1 40 'm 5M 65400.0*2e prova 1614' 46 38 46 74 rr_1aqa 1 41 'm 5M 6390.0*2e prova 1621' 47 39 47 74 rr_1aqa 1 42 '5M 4429.0 e prova 1634' 48 39 48 74 rr_1aqa 1 43 '5M 5535.0 e prova 2539' 49 39 49 74 rr_1aqa 1 44 'r 5M 4804.5*2e prova 2535' 50 39 50 74 rr_1aqa 1 45 'r 5M 9450.0*2e prova 1635' 51 39 51 74 rr_1aqa 1 46 '5M 4275.0 e prova 2534' 52 38 52 74 rr_1aqa 1 47 'm w 5M 4052.0*2e prova 2541' 53 38 53 74 rr_1aqa 1 48 'm 5M 5865.0*2e prova 1637' 54 39 54 74 rr_1aqa 1 49 '2 102800.0 e prova 1075' 56 39 56 74 rr_1aqa 1 50 'i 2 20390.0*2e prova 1076' 57 39 57 74 rr_1aqa 1 51 '2 12090.0 e prova 1640' 58 39 58 74 rr_1aqa 1 52 '2 3649.0 e prova 2543' 59 39 59 74 rr_1aqa 1 53 'r w 5 5130.0*2e prova 2546' 60 39 60 74 rr_1aqa 1 54 'm 2 84100.0*2e prova 1079' 61 39 61 74 rr_1aqa 1 55 '2 99420.0 e prova 1234' 62 39 62 74 rr_1aqa 1 56 '2 5716.0 e prova 1233' 63 39 63 74 rr_1aqa 1 57 'r w 5 3243.5*2e prova 2645' 64 39 64 74 rr_1aqa 1 58 'r w 5 1376.5*2e prova 1641' 65 39 65 74 rr_1aqa 1 59 '4 4804.0 e prova 2935' 66 39 66 74 rr_1aqa 1 60 'mm 1 32050.0*4e prova 1082' 67 39 67 74 rr_1aqa 1 61 'mm 1 13025.0*4e prova 1080' 68 39 68 74 rr_1aqa 1 62 'm 2 22945.0*2e prova 1235' 69 39 69 74 rr_1aqa 1 63 'mrw 5 8347.5*4e prova 1642' 70 39 70 74 rr_1aqa 1 64 'm w 5 1796.0*2e prova 1644' 71 39 71 74 rr_1aqa 1 65 'mrw 5 718.2*4e prova 2540' 72 39 72 74 rr_1aqa 1 66 '2 7926.0 e prova 102' 74 39 74 74 rr_1aqa 1 67 '2 3481.0 e prova 104' 75 38 75 74 rr_1aqa 1 68 '2 17300.0 e prova 103' 76 38 76 74 rr_1aqa 1 69 'r 1 5870.0*2e prova 112' 77 39 77 74 rr_1aqa 1 70 '4 1985.0 e prova 2937' 78 39 78 74 rr_1aqa 1 71 '2 19890.0 e prova 109' 79 39 79 74 rr_1aqa 1 72 '2 26640.0 e prova 110' 80 39 80 74 rr_1aqa 1 73 'm 1 28860.0*2e prova 115' 81 39 81 74 rr_1aqa 1 74 'i w 1 1096.5*2e prova 1680' 82 39 82 74 rr_1aqa 1 75 '2 99680.0 e prova 1239' 83 39 83 74 rr_1aqa 1 76 '4 13970.0 e prova 1647' 84 39 84 74 rr_1aqa 1 77 '4 1903.0 e prova 1650' 85 39 85 74 rr_1aqa 1 78 'm w 5 1839.5*2e prova 2831' 86 39 86 74 rr_1aqa 1 79 '4 9091.0 e prova 2936' 87 39 87 74 rr_1aqa 1 80 '4 9795.0 e prova 1646' 88 39 88 74 rr_1aqa 1 81 '4 2458.0 e prova 1651' 89 39 89 74 rr_1aqa 1 82 'm w 5 5350.0*2e prova 1677' 90 39 90 74 rr_1aqa 1 83 'r 1 12610.0*2e prova 118' 91 39 91 74 rr_1aqa 1 84 '2 5996.0 e prova 1237' 92 39 92 74 rr_1aqa 1 85 'w 5 6233.0 e prova 2981' 93 39 93 74 rr_1aqa 1 86 'w 5 15050.0 e prova 1632' 94 39 94 74 rr_1aqa 1 87 '5 21220.0 e prova 1656' 95 39 95 74 rr_1aqa 1 88 'w 5 4629.0 e prova 3051' 96 39 96 74 rr_1aqa 1 89 'w 5 5611.0 e prova 3050' 97 39 97 74 rr_1aqa 1 90 'r 1 17240.0*2e prova 116' 98 39 98 74 rr_1aqa 1 91 '2 3577.0 e prova 1238' 99 39 99 74 rr_1aqa 1 92 'w 5 15510.0 e prova 1655' 100 39 100 74 rr_1aqa 1 93 'm 5 29080.0*2e prova 1658' 101 39 101 74 rr_1aqa 1 94 '5 25800.0 e prova 1652' 102 39 102 74 rr_1aqa 1 95 'rr 1 28625.0*4e prova 113' 103 39 103 74 rr_1aqa 1 96 'r w 5 5255.0*2e prova 1661' 104 39 104 74 rr_1aqa 1 97 'r w 5 2104.0*2e prova 1662' 105 39 105 74 rr_1aqa 1 98 'rm 5 33900.0*4e prova 1668' 106 39 106 74 rr_1aqa 1 99 'rmw 5 9160.0*4e prova 1664' 107 39 107 74 rr_1aqa 1 100 'r w 5 4092.5*2e prova 1673' 108 39 108 74 rr_1aqa 1 101 'r w 5 6605.0*2e prova 1629' 109 39 109 74 rr_1aqa 1 102 'rmw 5 3517.5*4e prova 1675' 110 39 110 74 rr_1aqa 1 103 'r w 5 12675.0*2e prova 1684' 111 39 111 74 rr_1aqa 1 104 'r w 5 1917.0*2e prova 2983' 112 39 112 74 rr_1aqa 1 105 'rmw 5 5315.0*4e prova 1669' 113 39 113 74 rr_1aqa 1 106 'rmw 5 3185.0*4e prova 1666' 114 39 114 74 rr_1aqa 1 107 'r w 5 940.5*2e prova 1633' 115 39 115 74 rr_1aqa 1 108 'rmw 5 306.2*4e prova 1676' 116 39 116 74 rr_1aqa 1 109 'r w 5 11115.0*2e prova 1682' 117 39 117 74 rr_1aqa 1 110 '2 80680.0 e prova 136' 119 39 119 74 rr_1aqa 1 111 '2 24900.0 e prova 126' 120 39 120 74 rr_1aqa 1 112 '2 16380.0 e prova 125' 121 39 121 74 rr_1aqa 1 113 'r 1 18515.0*2e prova 123' 122 39 122 74 rr_1aqa 1 114 '2 6075.0 e prova 1685' 123 39 123 74 rr_1aqa 1 115 'w 5 1567.0 e prova 2830' 124 39 124 74 rr_1aqa 1 116 '5M 9073.0 e prova 1692' 125 39 125 74 rr_1aqa 1 117 'm w 5 1555.5*2e prova 1696' 126 39 126 74 rr_1aqa 1 118 'm w 5 3246.0*2e prova 1697' 127 39 127 74 rr_1aqa 1 119 '2 18420.0 e prova 143' 128 39 128 74 rr_1aqa 1 120 '2 32950.0 e prova 142' 129 39 129 74 rr_1aqa 1 121 'm 1 39295.0*2e prova 141' 130 39 130 74 rr_1aqa 1 122 '2 9551.0 e prova 1243' 131 39 131 74 rr_1aqa 1 123 '2 7471.0 e prova 1245' 132 39 132 74 rr_1aqa 1 124 '5M 12440.0 e prova 1686' 133 39 133 74 rr_1aqa 1 125 'm w 5 9165.0*2e prova 1689' 134 39 134 74 rr_1aqa 1 126 '5M 9383.0 e prova 1690' 135 39 135 74 rr_1aqa 1 127 'r 1 41655.0*2e prova 127' 136 39 136 74 rr_1aqa 1 128 'r w 1 1773.5*2e prova 2548' 137 39 137 74 rr_1aqa 1 129 'w 5 9573.0 e prova 1699' 138 39 138 74 rr_1aqa 1 130 'w 5 6965.0 e prova 1706' 139 39 139 74 rr_1aqa 1 131 '5M 29920.0 e prova 1710' 140 39 140 74 rr_1aqa 1 132 'w 5 3858.0 e prova 1716' 141 39 141 74 rr_1aqa 1 133 '5M 18330.0 e prova 1721' 142 39 142 74 rr_1aqa 1 134 'w 5M 3483.0 e prova 1728' 143 39 143 74 rr_1aqa 1 135 '5M 4366.0 e prova 1724' 144 39 144 74 rr_1aqa 1 136 'r 1 40490.0*2e prova 128' 145 39 145 74 rr_1aqa 1 137 'r w 1 1344.5*2e prova 2547' 146 39 146 74 rr_1aqa 1 138 'w 5 10240.0 e prova 1701' 147 39 147 74 rr_1aqa 1 139 'm 5 23460.0*2e prova 1702' 148 39 148 74 rr_1aqa 1 140 'w 5 2391.0 e prova 1704' 149 39 149 74 rr_1aqa 1 141 'w 5 2013.0 e prova 1705' 150 39 150 74 rr_1aqa 1 142 '5M 12900.0 e prova 1711' 151 39 151 74 rr_1aqa 1 143 'w 5 16590.0 e prova 1712' 152 39 152 74 rr_1aqa 1 144 'w 5 8952.0 e prova 1713' 153 39 153 74 rr_1aqa 1 145 'w 5 2899.0 e prova 1719' 154 39 154 74 rr_1aqa 1 146 '5M 17160.0 e prova 1722' 155 39 155 74 rr_1aqa 1 147 '5M 24780.0 e prova 1729' 156 39 156 74 rr_1aqa 1 148 '5M 4900.0 e prova 3013' 157 39 157 74 rr_1aqa 1 149 'w 5 3170.0 e prova 3038' 158 39 158 74 rr_1aqa 1 150 'rr 1 31750.0*4e prova 135' 159 39 159 74 rr_1aqa 1 151 'r w 5 4130.0*2e prova 1745' 160 39 160 74 rr_1aqa 1 152 'r w 5 10850.0*2e prova 1748' 161 39 161 74 rr_1aqa 1 153 'rmw 5 4507.5*4e prova 1747' 162 39 162 74 rr_1aqa 1 154 'r 5 23995.0*2e prova 1730' 163 39 163 74 rr_1aqa 1 155 'r w 5 2941.5*2e prova 1754' 164 39 164 74 rr_1aqa 1 156 'r w 5 9140.0*2e prova 1753' 165 39 165 74 rr_1aqa 1 157 'r w 5 11845.0*2e prova 1751' 166 39 166 74 rr_1aqa 1 158 'r w 5 14280.0*2e prova 1732' 167 39 167 74 rr_1aqa 1 159 'r 5M 18455.0*2e prova 1737' 168 39 168 74 rr_1aqa 1 160 'r 5M 44645.0*2e prova 1736' 169 39 169 74 rr_1aqa 1 161 'r w 5M 2142.0*2e prova 1764' 170 39 170 74 rr_1aqa 1 162 'r w 5 8870.0*2e prova 1758' 171 38 171 74 rr_1aqa 1 163 'r w 5 1796.0*2e prova 1759' 172 38 172 74 rr_1aqa 1 164 'r 5M 4398.0*2e prova 1760' 173 39 173 74 rr_1aqa 1 165 'r w 5 1702.5*2e prova 2986' 174 39 174 74 rr_1aqa 1 166 'r w 5 2009.0*2e prova 1776' 175 39 175 74 rr_1aqa 1 167 'r w 5 12100.0*2e prova 1778' 176 39 176 74 rr_1aqa 1 168 'r w 5 2611.0*2e prova 1756' 177 39 177 74 rr_1aqa 1 169 'r w 5 6465.0*2e prova 1757' 178 39 178 74 rr_1aqa 1 170 'r w 5 10725.0*2e prova 1733' 179 39 179 74 rr_1aqa 1 171 'r 5M 6945.0*2e prova 1741' 180 39 180 74 rr_1aqa 1 172 'r 5M 5255.0*2e prova 1740' 181 39 181 74 rr_1aqa 1 173 'r w 5 3287.5*2e prova 1770' 182 39 182 74 rr_1aqa 1 174 'r w 5 11220.0*2e prova 1765' 183 38 183 74 rr_1aqa 1 175 'r w 5 3844.5*2e prova 1766' 184 38 184 74 rr_1aqa 1 176 'r 5M 9385.0*2e prova 1767' 185 39 185 74 rr_1aqa 1 177 'r w 5 2765.0*2e prova 1772' 186 39 186 74 rr_1aqa 1 178 'r w 5 5585.0*2e prova 1775' 187 39 187 74 rr_1aqa 1 179 'r w 5 2280.5*2e prova 1746' 188 39 188 74 rr_1aqa 1 180 '2 2963.0 e prova 810' 190 39 190 74 rr_1aqa 1 181 '1M 6214.0 e prova 811' 191 39 191 74 rr_1aqa 1 182 '3 11960.0 e prova 1780' 192 39 192 74 rr_1aqa 1 183 '3 3866.0 e prova 1781' 193 39 193 74 rr_1aqa 1 184 '2 40820.0 e prova 813' 194 39 194 74 rr_1aqa 1 185 '1M 7022.0 e prova 814' 195 39 195 74 rr_1aqa 1 186 '2 2455.0 e prova 1246' 196 39 196 74 rr_1aqa 1 187 '2 5648.0 e prova 1249' 197 39 197 74 rr_1aqa 1 188 '3 3175.0 e prova 3062' 198 39 198 74 rr_1aqa 1 189 '5M 11570.0 e prova 1783' 199 39 199 74 rr_1aqa 1 190 '4 2418.0 e prova 2867' 200 39 200 74 rr_1aqa 1 191 '1M 54850.0 e prova 815 THR 8' 201 39 201 80 rr_1aqa 1 192 '2 26790.0 e prova 1248' 202 39 202 74 rr_1aqa 1 193 'm w 5 3734.0*2e prova 1786' 203 39 203 74 rr_1aqa 1 194 '3 50090.0 e prova 1792' 204 39 204 74 rr_1aqa 1 195 '3 6295.0 e prova 2551' 205 39 205 74 rr_1aqa 1 196 'w 5 6975.0 e prova 1790' 206 39 206 74 rr_1aqa 1 197 'w 5 8234.0 e prova 1789' 207 39 207 74 rr_1aqa 1 198 '3 6458.0 e prova 1795' 208 39 208 74 rr_1aqa 1 199 '5M 37710.0 e prova 1784' 209 39 209 74 rr_1aqa 1 200 '5M 7415.0 e prova 1787' 210 39 210 74 rr_1aqa 1 201 'w 5M 2247.0 e prova 1793' 211 39 211 74 rr_1aqa 1 202 'm 5M 4442.5*2e prova 1799' 212 39 212 74 rr_1aqa 1 203 '5M 11240.0 e prova 1797' 213 39 213 74 rr_1aqa 1 204 '2 48540.0 e prova 792' 215 39 215 74 rr_1aqa 1 205 'i 2 34610.0*2e prova 785' 216 39 216 74 rr_1aqa 1 206 '1 35540.0 e prova 793' 217 39 217 74 rr_1aqa 1 207 '1M 6393.0 e prova 786' 218 39 218 74 rr_1aqa 1 208 '1M 4570.0 e prova 806' 219 39 219 74 rr_1aqa 1 209 '2 29740.0 e prova 1250' 220 39 220 74 rr_1aqa 1 210 '3 4991.0 e prova 3058' 221 39 221 74 rr_1aqa 1 211 '5M 18100.0 e prova 1810' 222 39 222 74 rr_1aqa 1 212 'm w 5 2872.5*2e prova 3040' 223 39 223 74 rr_1aqa 1 213 'm 2 43895.0*2e prova 790' 224 39 224 74 rr_1aqa 1 214 '1 90770.0 e prova 791' 225 39 225 74 rr_1aqa 1 215 '1M 42180.0 e prova 789' 226 38 226 74 rr_1aqa 1 216 '1M 13270.0 e prova 805' 227 38 227 74 rr_1aqa 1 217 '2 9227.0 e prova 1252' 228 39 228 74 rr_1aqa 1 218 '3 12750.0 e prova 1800' 229 39 229 74 rr_1aqa 1 219 '3 22210.0 e prova 1803' 230 39 230 74 rr_1aqa 1 220 '3 62500.0 e prova 1805' 231 39 231 74 rr_1aqa 1 221 '5 53310.0 e prova 1806' 232 39 232 74 rr_1aqa 1 222 '3 7597.0 e prova 1808' 233 39 233 74 rr_1aqa 1 223 'w 5 11540.0 e prova 2549' 234 39 234 74 rr_1aqa 1 224 '5M 9151.0 e prova 1814' 235 39 235 74 rr_1aqa 1 225 '5M 18800.0 e prova 1811' 236 39 236 74 rr_1aqa 1 226 'm 1 160150.0*2e prova 800' 237 39 237 74 rr_1aqa 1 227 'm 1M 46090.0*2e prova 799' 238 38 238 74 rr_1aqa 1 228 'm 1M 12170.0*2e prova 798' 239 38 239 74 rr_1aqa 1 229 'm 2 16130.0*2e prova 1254' 240 39 240 74 rr_1aqa 1 230 'm 5 21140.0*2e prova 1827' 241 39 241 74 rr_1aqa 1 231 'm 5M 10980.0*2e prova 1826' 242 39 242 74 rr_1aqa 1 232 'mmw 5 677.0*4e prova 1829' 243 39 243 74 rr_1aqa 1 233 's 1M 114100.0 e prova 808' 244 39 244 74 rr_1aqa 1 234 's 1M 253300.0 e prova 807' 245 39 245 74 rr_1aqa 1 235 'w 5 17280.0 e prova 1816' 246 39 246 74 rr_1aqa 1 236 'w 5 10800.0 e prova 1819' 247 39 247 74 rr_1aqa 1 237 '5 37060.0 e prova 1821' 248 39 248 74 rr_1aqa 1 238 '5 28540.0 e prova 1825' 249 39 249 74 rr_1aqa 1 239 'm w 5 8340.0*2e prova 1822' 250 39 250 74 rr_1aqa 1 240 'w 5M 2589.0 e prova 1830' 251 39 251 74 rr_1aqa 1 241 'w 5M 1985.0 e prova 1831' 252 38 252 74 rr_1aqa 1 242 'm 5M 17940.0*2e prova 1833' 253 39 253 74 rr_1aqa 1 243 '5M 17490.0 e prova 2553' 254 39 254 74 rr_1aqa 1 244 'm w 5M 3042.5*2e prova 1835' 255 39 255 74 rr_1aqa 1 245 'w 5M 2867.0 e prova 1839' 256 39 256 74 rr_1aqa 1 246 '5M 23120.0 e prova 1841' 257 39 257 74 rr_1aqa 1 247 'm w 5M 2875.0*2e prova 1838' 258 38 258 74 rr_1aqa 1 248 '5M 16930.0 e prova 1832' 259 38 259 74 rr_1aqa 1 249 'w 5M 3120.0 e prova 1836' 260 39 260 74 rr_1aqa 1 250 'm w 5M 1078.0*2e prova 1837' 261 38 261 74 rr_1aqa 1 251 'm 5M 49190.0 e prova 1843' 262 39 262 74 rr_1aqa 1 252 '2 65080.0 e prova 782 GLU 10' 264 39 264 81 rr_1aqa 1 253 '2 95290.0 e prova 773' 265 39 265 74 rr_1aqa 1 254 '2 63000.0 e prova 774' 266 39 266 74 rr_1aqa 1 255 '2 36920.0 e prova 1257' 267 39 267 74 rr_1aqa 1 256 '3 10530.0 e prova 3059' 268 39 268 74 rr_1aqa 1 257 '3 4840.0 e prova 3061' 269 39 269 74 rr_1aqa 1 258 '2 119300.0 e prova 776' 270 39 270 74 rr_1aqa 1 259 '2 71720.0 e prova 775' 271 39 271 74 rr_1aqa 1 260 '2 13660.0 e prova 1258' 272 39 272 74 rr_1aqa 1 261 '3 14580.0 e prova 1845' 273 39 273 74 rr_1aqa 1 262 '3 29160.0 e prova 1849' 274 38 274 74 rr_1aqa 1 263 '3 6067.0 e prova 2570' 275 38 275 74 rr_1aqa 1 264 'm w 5 6010.0*2e prova 1846' 276 39 276 74 rr_1aqa 1 265 '2 28260.0 e prova 1260' 277 39 277 74 rr_1aqa 1 266 '2 43160.0 e prova 1261' 278 39 278 74 rr_1aqa 1 267 '2 33410.0 e prova 769' 280 39 280 74 rr_1aqa 1 268 '2 59630.0 e prova 771 GLU 11' 281 39 281 81 rr_1aqa 1 269 'm 1 36110.0*2e prova 770' 282 39 282 74 rr_1aqa 1 270 '2 41080.0 e prova 1268' 283 39 283 74 rr_1aqa 1 271 '3 6090.0 e prova 1850' 284 39 284 74 rr_1aqa 1 272 '2 72020.0 e prova 761' 285 39 285 74 rr_1aqa 1 273 '2 40540.0 e prova 767' 286 39 286 74 rr_1aqa 1 274 'i 1 19085.0*2e prova 768' 287 39 287 74 rr_1aqa 1 275 '2 16080.0 e prova 1269' 288 39 288 74 rr_1aqa 1 276 '2 3643.0 e prova 1267' 289 39 289 74 rr_1aqa 1 277 '3 4595.0 e prova 1851' 290 39 290 74 rr_1aqa 1 278 '3 19660.0 e prova 1854' 291 39 291 74 rr_1aqa 1 279 'm 3 19880.0*2e prova 2729' 292 39 292 74 rr_1aqa 1 280 'm w 5 5725.0*2e prova 1857' 293 39 293 74 rr_1aqa 1 281 'm w 5 8395.0*2e prova 1855' 294 39 294 74 rr_1aqa 1 282 'w 5 5496.0 e prova 2814' 295 39 295 74 rr_1aqa 1 283 'm 1 34650.0*2e prova 763' 296 39 296 74 rr_1aqa 1 284 'w 5 7911.0 e prova 1863' 297 39 297 74 rr_1aqa 1 285 '5 45950.0 e prova 1860' 298 39 298 74 rr_1aqa 1 286 '5 18260.0 e prova 1862' 299 39 299 74 rr_1aqa 1 287 'm 1 75500.0*2e prova 762' 300 39 300 74 rr_1aqa 1 288 '2 16310.0 e prova 1266' 301 39 301 74 rr_1aqa 1 289 'w 5 4405.0 e prova 1865' 302 39 302 74 rr_1aqa 1 290 'w 5 10910.0 e prova 1866' 303 39 303 74 rr_1aqa 1 291 'm w 5 5955.0*2e prova 1868' 304 39 304 74 rr_1aqa 1 292 'm w 5 731.0*2e prova 1870' 305 39 305 74 rr_1aqa 1 293 'mmw 5 1044.5*4e prova 1871' 306 39 306 74 rr_1aqa 1 294 'm w 5 923.0*2e prova 1875' 307 39 307 74 rr_1aqa 1 295 'm w 5 5790.0*2e prova 1873' 308 39 308 74 rr_1aqa 1 296 '2 23620.0 e prova 733' 310 39 310 74 rr_1aqa 1 297 '2 64000.0 e prova 734' 311 39 311 74 rr_1aqa 1 298 '1M 11640.0 e prova 2559' 312 39 312 74 rr_1aqa 1 299 '2 35480.0 e prova 1272' 313 39 313 74 rr_1aqa 1 300 '2 2539.0 e prova 1877' 314 39 314 74 rr_1aqa 1 301 'w 5 1202.0 e prova 1883' 315 39 315 74 rr_1aqa 1 302 '2 8586.0 e prova 735' 316 39 316 74 rr_1aqa 1 303 '1M 50000.0 e prova 736' 317 39 317 74 rr_1aqa 1 304 '2 14040.0 e prova 1277' 318 39 318 74 rr_1aqa 1 305 '2 4566.0 e prova 1275' 319 39 319 74 rr_1aqa 1 306 '3 10130.0 e prova 3081' 320 39 320 74 rr_1aqa 1 307 'w 5 4029.0 e prova 1878' 321 39 321 74 rr_1aqa 1 308 '5 68790.0 e prova 1887' 322 39 322 74 rr_1aqa 1 309 '5 28270.0 e prova 1885' 323 39 323 74 rr_1aqa 1 310 '5M 6578.0 e prova 2560' 324 39 324 74 rr_1aqa 1 311 '1M 28780.0 e prova 739' 325 39 325 74 rr_1aqa 1 312 '1 76940.0 e prova 737' 326 39 326 74 rr_1aqa 1 313 '1 45290.0 e prova 742' 327 39 327 74 rr_1aqa 1 314 '1M 50440.0 e prova 750' 328 39 328 74 rr_1aqa 1 315 '2 55920.0 e prova 1274' 329 39 329 74 rr_1aqa 1 316 'm w 5 4834.0*2e prova 1889' 330 39 330 74 rr_1aqa 1 317 'w 5 11540.0 e prova 2564' 331 39 331 74 rr_1aqa 1 318 '5 17650.0 e prova 1890' 332 39 332 74 rr_1aqa 1 319 '5M 13520.0 e prova 1892' 333 39 333 74 rr_1aqa 1 320 's 1M 210000.0 e prova 748' 334 38 334 74 rr_1aqa 1 321 '1M 31520.0 e prova 752' 335 38 335 74 rr_1aqa 1 322 'm s 1M 131200.0 e prova 755 ILE 12' 336 39 336 81 rr_1aqa 1 323 '5M 7690.0 e prova 1895' 337 39 337 74 rr_1aqa 1 324 'w 5M 3787.0 e prova 1904' 338 39 338 74 rr_1aqa 1 325 'w 5M 3432.0 e prova 1906' 339 39 339 74 rr_1aqa 1 326 'm 5M 29630.0 e prova 1907' 340 39 340 74 rr_1aqa 1 327 'm 5M 13890.0 e prova 1910' 341 39 341 74 rr_1aqa 1 328 '1M 36980.0 e prova 749' 342 39 342 74 rr_1aqa 1 329 '5M 9052.0 e prova 3016' 343 39 343 74 rr_1aqa 1 330 '1M 76220.0 e prova 751' 344 39 344 74 rr_1aqa 1 331 '5M 6481.0 e prova 1896' 345 39 345 74 rr_1aqa 1 332 '5M 44210.0 e prova 1898' 346 39 346 74 rr_1aqa 1 333 '5M 9206.0 e prova 2613' 347 39 347 74 rr_1aqa 1 334 '5M 17520.0 e prova 1903' 348 39 348 74 rr_1aqa 1 335 '5M 15850.0 e prova 1900' 349 39 349 74 rr_1aqa 1 336 '5M 16720.0 e prova 1911' 350 39 350 74 rr_1aqa 1 337 'm 5M 12850.0 e prova 1914' 351 39 351 74 rr_1aqa 1 338 'm 5M 22400.0 e prova 1913' 352 39 352 74 rr_1aqa 1 339 '5M 35790.0 e prova 1916' 353 39 353 74 rr_1aqa 1 340 '5M 9858.0 e prova 1918' 354 39 354 74 rr_1aqa 1 341 'm 5M 72840.0 e prova 1920' 355 39 355 74 rr_1aqa 1 342 '2 22990.0 e prova 711' 357 39 357 74 rr_1aqa 1 343 '2 77310.0 e prova 713' 358 39 358 74 rr_1aqa 1 344 '2 40840.0 e prova 714' 359 39 359 74 rr_1aqa 1 345 'm 1 23750.0*2e prova 712' 360 39 360 74 rr_1aqa 1 346 '2 30530.0 e prova 1280' 361 39 361 74 rr_1aqa 1 347 '3 3908.0 e prova 3071' 362 39 362 74 rr_1aqa 1 348 '4 3778.0 e prova 1923' 363 38 363 74 rr_1aqa 1 349 '4 9749.0 e prova 1924' 364 38 364 74 rr_1aqa 1 350 '2 20050.0 e prova 717' 365 39 365 74 rr_1aqa 1 351 '2 27450.0 e prova 718' 366 39 366 74 rr_1aqa 1 352 'i 1 35525.0*2e prova 716' 367 39 367 74 rr_1aqa 1 353 '2 5695.0 e prova 1285' 368 39 368 74 rr_1aqa 1 354 '2 3800.0 e prova 1284' 369 39 369 74 rr_1aqa 1 355 '3 11820.0 e prova 1922' 370 39 370 74 rr_1aqa 1 356 '4 21300.0 e prova 1926' 371 38 371 74 rr_1aqa 1 357 '4 4471.0 e prova 1927' 372 38 372 74 rr_1aqa 1 358 'm 1 48030.0*2e prova 720' 373 39 373 74 rr_1aqa 1 359 '2 5558.0 e prova 1282' 374 39 374 74 rr_1aqa 1 360 'm w 5 9185.0*2e prova 1934' 375 39 375 74 rr_1aqa 1 361 'm 1 21400.0*2e prova 728' 376 39 376 74 rr_1aqa 1 362 '2 7711.0 e prova 1283' 377 39 377 74 rr_1aqa 1 363 '2 8508.0 e prova 1932' 378 39 378 74 rr_1aqa 1 364 'm w 5 2073.5*2e prova 1929' 379 39 379 74 rr_1aqa 1 365 '2 31840.0 e prova 693' 381 39 381 74 rr_1aqa 1 366 'i 2 67300.0*2e prova 695' 382 39 382 74 rr_1aqa 1 367 'm 1 36415.0*2e prova 696' 383 39 383 74 rr_1aqa 1 368 'm w 1 1470.0*2e prova 694' 384 39 384 74 rr_1aqa 1 369 '2 56440.0 e prova 1287' 385 39 385 74 rr_1aqa 1 370 'm 2 97400.0*2e prova 698' 386 39 386 74 rr_1aqa 1 371 'i 1 11405.0*2e prova 697' 387 39 387 74 rr_1aqa 1 372 'm 1 5035.0*2e prova 709' 388 39 388 74 rr_1aqa 1 373 '2 12430.0 e prova 1289' 389 39 389 74 rr_1aqa 1 374 'mm 1 69125.0*4e prova 706' 390 39 390 74 rr_1aqa 1 375 'mm 1 20875.0*4e prova 710 LYS 14' 391 39 391 81 rr_1aqa 1 376 'm 2 6385.0*2e prova 1290' 392 39 392 74 rr_1aqa 1 377 'm w 5 2213.5*2e prova 2816' 393 39 393 74 rr_1aqa 1 378 'mmw 1 688.0*4e prova 705' 394 39 394 74 rr_1aqa 1 379 'm w 5 7185.0*2e prova 2568' 395 39 395 74 rr_1aqa 1 380 '2 14340.0 e prova 678' 397 39 397 74 rr_1aqa 1 381 '2 24130.0 e prova 679' 398 39 398 74 rr_1aqa 1 382 '2 11280.0 e prova 680' 399 39 399 74 rr_1aqa 1 383 '2 8302.0 e prova 1295' 400 39 400 74 rr_1aqa 1 384 '2 1725.0 e prova 3077' 401 39 401 74 rr_1aqa 1 385 '2 3024.0 e prova 683' 402 38 402 74 rr_1aqa 1 386 '2 8248.0 e prova 682' 403 38 403 74 rr_1aqa 1 387 '1 4158.0 e prova 681' 404 39 404 74 rr_1aqa 1 388 'w 1 2970.0 e prova 2813' 405 39 405 74 rr_1aqa 1 389 '2 86040.0 e prova 1293' 406 39 406 74 rr_1aqa 1 390 'w 2 1345.0 e prova 1294' 407 39 407 74 rr_1aqa 1 391 '3 12400.0 e prova 1938' 408 39 408 74 rr_1aqa 1 392 '4 1726.0 e prova 2820' 409 39 409 74 rr_1aqa 1 393 '1 9738.0 e prova 3066' 410 39 410 74 rr_1aqa 1 394 'w 2 1253.0 e prova 2819' 411 38 411 74 rr_1aqa 1 395 'w 5 4337.0 e prova 3084' 412 39 412 74 rr_1aqa 1 396 'w 5 4280.0 e prova 3085' 413 39 413 74 rr_1aqa 1 397 'w 5 16470.0 e prova 1943' 414 39 414 74 rr_1aqa 1 398 'w 5 6510.0 e prova 3087' 415 38 415 74 rr_1aqa 1 399 '1 9514.0 e prova 692 HIS 15' 416 39 416 81 rr_1aqa 1 400 '2 3617.0 e prova 3082' 417 38 417 74 rr_1aqa 1 401 'w 5 7606.0 e prova 2818' 418 39 418 74 rr_1aqa 1 402 '5 34410.0 e prova 1942' 419 39 419 74 rr_1aqa 1 403 '5 33870.0 e prova 1939' 420 38 420 74 rr_1aqa 1 404 'w 5 12320.0 e prova 1945' 421 39 421 74 rr_1aqa 1 405 '1 274000.0 e prova 2810' 422 39 422 74 rr_1aqa 1 406 '2 15320.0 e prova 664' 424 39 424 74 rr_1aqa 1 407 'i 2 37240.0*2e prova 665' 425 39 425 74 rr_1aqa 1 408 'm 1 19680.0*2e prova 669' 426 39 426 74 rr_1aqa 1 409 '2 67570.0 e prova 1298' 427 39 427 74 rr_1aqa 1 410 'w 2 1528.0 e prova 3118' 428 38 428 74 rr_1aqa 1 411 '2 6205.0 e prova 2571' 429 38 429 74 rr_1aqa 1 412 'm 2 34575.0*2e prova 666' 430 39 430 74 rr_1aqa 1 413 'i w 1 839.5*2e prova 3075' 431 39 431 74 rr_1aqa 1 414 'm 1 5875.0*2e prova 674' 432 39 432 74 rr_1aqa 1 415 '2 15640.0 e prova 1300' 433 39 433 74 rr_1aqa 1 416 '4 4128.0 e prova 1947' 434 39 434 74 rr_1aqa 1 417 '5M 139000.0 e prova 1948' 435 39 435 74 rr_1aqa 1 418 'mm 1 90525.0*4e prova 671' 436 39 436 74 rr_1aqa 1 419 'mm 1 7337.5*4e prova 673' 437 39 437 74 rr_1aqa 1 420 'm 5M 91850.0*2e prova 1950' 438 39 438 74 rr_1aqa 1 421 'mm 1 8290.0*4e prova 670' 439 39 439 74 rr_1aqa 1 422 'm 5 81600.0*2e prova 1952' 440 39 440 74 rr_1aqa 1 423 'm 5M 5440.0*2e prova 1954' 441 39 441 74 rr_1aqa 1 424 'm 5 20395.0*2e prova 1956' 442 39 442 74 rr_1aqa 1 425 '2 19260.0 e prova 151' 444 39 444 74 rr_1aqa 1 426 '2 9437.0 e prova 147' 445 39 445 74 rr_1aqa 1 427 '2 6818.0 e prova 146' 446 39 446 74 rr_1aqa 1 428 '5M 12920.0 e prova 1961' 447 39 447 74 rr_1aqa 1 429 '2 93910.0 e prova 148' 448 39 448 74 rr_1aqa 1 430 '2 69610.0 e prova 149' 449 39 449 74 rr_1aqa 1 431 '3 30390.0 e prova 1958' 450 39 450 74 rr_1aqa 1 432 '2 2597.0 e prova 1964' 451 39 451 74 rr_1aqa 1 433 'w 3 2141.0 e prova 3121' 452 39 452 74 rr_1aqa 1 434 'm w 5 3986.0*2e prova 1963' 453 39 453 74 rr_1aqa 1 435 '5M 49300.0 e prova 2572' 454 39 454 74 rr_1aqa 1 436 'i 2 9035.0*2e prova 659' 456 39 456 74 rr_1aqa 1 437 '2 8771.0 e prova 2833' 457 39 457 74 rr_1aqa 1 438 'm 2 10980.0*2e prova 2574' 458 39 458 74 rr_1aqa 1 439 'm 2 20435.0*2e prova 660' 459 39 459 74 rr_1aqa 1 440 '4 1368.0 e prova 3126' 460 39 460 74 rr_1aqa 1 441 'mmw 5 11317.5*4e prova 1966' 461 39 461 74 rr_1aqa 1 442 'm w 3 873.5*2e prova 3124' 462 39 462 74 rr_1aqa 1 443 '2 20350.0 e prova 636' 464 39 464 74 rr_1aqa 1 444 'i 2 33355.0*2e prova 638' 465 39 465 74 rr_1aqa 1 445 'm w 1 2175.0*2e prova 639' 466 39 466 74 rr_1aqa 1 446 'm 1 13805.0*2e prova 640' 467 39 467 74 rr_1aqa 1 447 'm 1 12475.0*2e prova 637' 468 39 468 74 rr_1aqa 1 448 '2 38920.0 e prova 1301' 469 39 469 74 rr_1aqa 1 449 'm 2 75800.0*2e prova 644' 470 39 470 74 rr_1aqa 1 450 'i 1 22970.0*2e prova 642' 471 39 471 74 rr_1aqa 1 451 'm 1 8600.0*2e prova 641' 472 39 472 74 rr_1aqa 1 452 'm 1 7220.0*2e prova 654' 473 39 473 74 rr_1aqa 1 453 '2 39570.0 e prova 1304' 474 39 474 74 rr_1aqa 1 454 '5M 15930.0 e prova 2664' 475 39 475 74 rr_1aqa 1 455 'm w 5 5405.0*2e prova 2577' 476 39 476 74 rr_1aqa 1 456 'mm 1 18897.5*4e prova 646' 477 39 477 74 rr_1aqa 1 457 'mm 1 25100.0*4e prova 647' 478 39 478 74 rr_1aqa 1 458 'mmw 1 3295.0*4e prova 645' 479 39 479 74 rr_1aqa 1 459 'm w 5 7100.0*2e prova 1969 sequence' 480 39 480 83 rr_1aqa 1 460 'mm 1 16340.0*4e prova 649' 481 39 481 74 rr_1aqa 1 461 'mm 1 19095.0*4e prova 658 LYS 19' 482 39 482 81 rr_1aqa 1 462 '2 16380.0 e prova 234' 484 39 484 74 rr_1aqa 1 463 '2 8152.0 e prova 238 SER 20' 485 39 485 81 rr_1aqa 1 464 '2 13220.0 e prova 237' 486 39 486 74 rr_1aqa 1 465 '2 8204.0 e prova 1306' 487 39 487 74 rr_1aqa 1 466 '2 21930.0 e prova 233' 488 39 488 74 rr_1aqa 1 467 '2 11190.0 e prova 232' 489 39 489 74 rr_1aqa 1 468 '2 37930.0 e prova 1308' 490 39 490 74 rr_1aqa 1 469 '2 2649.0 e prova 1971' 491 39 491 74 rr_1aqa 1 470 '5M 37750.0 e prova 2660' 492 39 492 74 rr_1aqa 1 471 '2 35190.0 e prova 628' 494 39 494 74 rr_1aqa 1 472 '1M 19240.0 e prova 629' 495 39 495 74 rr_1aqa 1 473 '2 8444.0 e prova 1312' 496 39 496 74 rr_1aqa 1 474 '4 10420.0 e prova 1973' 497 39 497 74 rr_1aqa 1 475 '4 1279.0 e prova 2948' 498 39 498 74 rr_1aqa 1 476 '4 7083.0 e prova 2868' 499 39 499 74 rr_1aqa 1 477 '4 4000.0 e prova 2836' 500 39 500 74 rr_1aqa 1 478 '5M 5162.0 e prova 2662' 501 39 501 74 rr_1aqa 1 479 '2 4688.0 e prova 631' 502 39 502 74 rr_1aqa 1 480 '1M 21030.0 e prova 635 THR 21' 503 39 503 81 rr_1aqa 1 481 '2 13890.0 e prova 1313' 504 39 504 74 rr_1aqa 1 482 '4 1562.0 e prova 2946' 505 39 505 74 rr_1aqa 1 483 '5M 8678.0 e prova 1983' 506 39 506 74 rr_1aqa 1 484 's 1M 115000.0 e prova 634' 507 39 507 74 rr_1aqa 1 485 '2 4225.0 e prova 1309' 508 39 508 74 rr_1aqa 1 486 'w 5 1752.0 e prova 2753' 509 39 509 74 rr_1aqa 1 487 'w 5 2653.0 e prova 2837' 510 39 510 74 rr_1aqa 1 488 '5M 6334.0 e prova 1976' 511 39 511 74 rr_1aqa 1 489 'w 5M 3692.0 e prova 2924' 512 39 512 74 rr_1aqa 1 490 'w 5M 3975.0 e prova 1972' 513 39 513 74 rr_1aqa 1 491 'm 5M 29010.0 e prova 1978' 514 39 514 74 rr_1aqa 1 492 '5M 18960.0 e prova 1979' 515 39 515 74 rr_1aqa 1 493 'm 5M 13910.0 e prova 1980' 516 39 516 74 rr_1aqa 1 494 '5M 14420.0 e prova 1982' 517 39 517 74 rr_1aqa 1 495 'm s 5M 310300.0 e prova 1985' 518 39 518 74 rr_1aqa 1 496 '2 5557.0 e prova 611' 520 39 520 74 rr_1aqa 1 497 '2 7497.0 e prova 613' 521 38 521 74 rr_1aqa 1 498 '2 2319.0 e prova 617' 522 38 522 74 rr_1aqa 1 499 '4 2551.0 e prova 2754' 523 39 523 74 rr_1aqa 1 500 '4 3575.0 e prova 1990' 524 39 524 74 rr_1aqa 1 501 '5M 5488.0 e prova 1988' 525 39 525 74 rr_1aqa 1 502 '4 4377.0 e prova 2942' 526 39 526 74 rr_1aqa 1 503 '2 14110.0 e prova 616' 527 39 527 74 rr_1aqa 1 504 '2 30620.0 e prova 618' 528 39 528 74 rr_1aqa 1 505 '2 63430.0 e prova 1315' 529 39 529 74 rr_1aqa 1 506 '2 1814.0 e prova 1318' 530 39 530 74 rr_1aqa 1 507 'w 5M 2067.0 e prova 2584' 531 39 531 74 rr_1aqa 1 508 '4 31610.0 e prova 1987' 532 39 532 74 rr_1aqa 1 509 '4 3749.0 e prova 2927' 533 39 533 74 rr_1aqa 1 510 '1 15990.0 e prova 1880' 534 39 534 74 rr_1aqa 1 511 '2 6025.0 e prova 1314' 535 39 535 74 rr_1aqa 1 512 '5M 18400.0 e prova 1992' 536 39 536 74 rr_1aqa 1 513 '5 21820.0 e prova 1996' 537 39 537 74 rr_1aqa 1 514 'w 5 2694.0 e prova 2666' 538 39 538 74 rr_1aqa 1 515 'w 5 1865.0 e prova 2839' 539 39 539 74 rr_1aqa 1 516 '5M 17930.0 e prova 2579' 540 39 540 74 rr_1aqa 1 517 '1 33470.0 e prova 1881' 541 39 541 74 rr_1aqa 1 518 '5M 26460.0 e prova 1991' 542 39 542 74 rr_1aqa 1 519 '1 74490.0 e prova 626' 543 39 543 74 rr_1aqa 1 520 '1 44220.0 e prova 622' 544 39 544 74 rr_1aqa 1 521 '5M 65940.0 e prova 1999' 545 38 545 74 rr_1aqa 1 522 'w 5M 4165.0 e prova 2003' 546 38 546 74 rr_1aqa 1 523 '5M 20990.0 e prova 2004' 547 39 547 74 rr_1aqa 1 524 '1 31640.0 e prova 624' 548 39 548 74 rr_1aqa 1 525 '5M 19300.0 e prova 2000' 549 39 549 74 rr_1aqa 1 526 '5M 4570.0 e prova 2006' 550 39 550 74 rr_1aqa 1 527 '5M 5761.0 e prova 2005' 551 39 551 74 rr_1aqa 1 528 '2 23080.0 e prova 239' 553 39 553 74 rr_1aqa 1 529 '2 5113.0 e prova 240' 554 39 554 74 rr_1aqa 1 530 '1M 10270.0 e prova 241' 555 38 555 74 rr_1aqa 1 531 '1M 51060.0 e prova 242' 556 38 556 74 rr_1aqa 1 532 '2 9311.0 e prova 2010' 557 39 557 74 rr_1aqa 1 533 '5M 5134.0 e prova 2011' 558 39 558 74 rr_1aqa 1 534 '4 25630.0 e prova 2016' 559 39 559 74 rr_1aqa 1 535 '4 2636.0 e prova 2017' 560 39 560 74 rr_1aqa 1 536 '4 4378.0 e prova 2578' 561 39 561 74 rr_1aqa 1 537 '5M 8268.0 e prova 2018' 562 39 562 74 rr_1aqa 1 538 '2 54070.0 e prova 245' 563 39 563 74 rr_1aqa 1 539 '1M 51060.0 e prova 244' 564 39 564 74 rr_1aqa 1 540 '1M 21470.0 e prova 243' 565 39 565 74 rr_1aqa 1 541 '2 46580.0 e prova 1322' 566 39 566 74 rr_1aqa 1 542 'w 2 1424.0 e prova 1321' 567 39 567 74 rr_1aqa 1 543 '5M 13690.0 e prova 2582' 568 39 568 74 rr_1aqa 1 544 '4 6551.0 e prova 2019' 569 39 569 74 rr_1aqa 1 545 '4 11990.0 e prova 2612' 570 39 570 74 rr_1aqa 1 546 '4 6326.0 e prova 2020' 571 39 571 74 rr_1aqa 1 547 '1M 29840.0 e prova 254' 572 39 572 74 rr_1aqa 1 548 '1M 28900.0 e prova 253' 573 39 573 74 rr_1aqa 1 549 '2 24820.0 e prova 1323' 574 39 574 74 rr_1aqa 1 550 'w 5M 2109.0 e prova 2840' 575 39 575 74 rr_1aqa 1 551 'w 5 5112.0 e prova 2013' 576 39 576 74 rr_1aqa 1 552 '5M 18490.0 e prova 2023' 577 39 577 74 rr_1aqa 1 553 'w 5M 3409.0 e prova 2025' 578 39 578 74 rr_1aqa 1 554 'm 5M 10320.0 e prova 2591' 579 39 579 74 rr_1aqa 1 555 'r w 5M 1843.5*2e prova 2033' 580 38 580 74 rr_1aqa 1 556 '5M 16440.0 e prova 2035' 581 39 581 74 rr_1aqa 1 557 'm 5M 33730.0*2e prova 2038' 582 39 582 74 rr_1aqa 1 558 '5M 12890.0 e prova 2041' 583 39 583 74 rr_1aqa 1 559 'm 5M 8970.0 e prova 2040' 584 39 584 74 rr_1aqa 1 560 'm w 5M 3553.5*2e prova 2043' 585 39 585 74 rr_1aqa 1 561 'm w 5M 3301.0*2e prova 2044' 586 39 586 74 rr_1aqa 1 562 '5M 46750.0 e prova 2046' 587 39 587 74 rr_1aqa 1 563 'm 5M 21310.0 e prova 2047' 588 38 588 74 rr_1aqa 1 564 'w 5M 2236.0 e prova 2052' 589 39 589 74 rr_1aqa 1 565 'm 5M 32650.0 e prova 2053' 590 39 590 74 rr_1aqa 1 566 '5M 21680.0 e prova 1174' 591 39 591 74 rr_1aqa 1 567 'm 5M 10570.0 e prova 2026' 592 39 592 74 rr_1aqa 1 568 'm 5M 13610.0 e prova 2027' 593 39 593 74 rr_1aqa 1 569 '5M 15060.0 e prova 2029' 594 39 594 74 rr_1aqa 1 570 'm 5M 10870.0*2e prova 2031' 595 39 595 74 rr_1aqa 1 571 'r 5M 6475.0*2e prova 2030' 596 38 596 74 rr_1aqa 1 572 'm 5M 7949.0 e prova 2048' 597 38 597 74 rr_1aqa 1 573 'm 5M 40030.0 e prova 2056' 598 39 598 74 rr_1aqa 1 574 'w 5M 3673.0 e prova 1148' 599 39 599 74 rr_1aqa 1 575 '5M 11430.0 e prova 1173' 600 39 600 74 rr_1aqa 1 576 '2 5053.0 e prova 492' 602 39 602 74 rr_1aqa 1 577 '2 22210.0 e prova 496' 603 39 603 74 rr_1aqa 1 578 '2 10540.0 e prova 1325' 604 39 604 74 rr_1aqa 1 579 '5M 8751.0 e prova 2060' 605 39 605 74 rr_1aqa 1 580 '4 23810.0 e prova 2757' 606 39 606 74 rr_1aqa 1 581 'w 5 2774.0 e prova 3176' 607 39 607 74 rr_1aqa 1 582 '4 3784.0 e prova 2072' 608 39 608 74 rr_1aqa 1 583 'w 5M 3102.0 e prova 2842' 609 39 609 74 rr_1aqa 1 584 '2 10300.0 e prova 494' 610 39 610 74 rr_1aqa 1 585 '2 72000.0 e prova 1324' 611 39 611 74 rr_1aqa 1 586 '3 3431.0 e prova 2058' 612 39 612 74 rr_1aqa 1 587 '4 9621.0 e prova 2064' 613 39 613 74 rr_1aqa 1 588 'w 5M 2609.0 e prova 2061' 614 39 614 74 rr_1aqa 1 589 '5M 4382.0 e prova 2062' 615 39 615 74 rr_1aqa 1 590 '4 6827.0 e prova 2066' 616 39 616 74 rr_1aqa 1 591 'r w 5 4730.0*2e prova 2068' 617 39 617 74 rr_1aqa 1 592 'w 5 6877.0 e prova 3177' 618 39 618 74 rr_1aqa 1 593 'w 5 3784.0 e prova 3178' 619 39 619 74 rr_1aqa 1 594 '2 9256.0 e prova 499' 621 39 621 74 rr_1aqa 1 595 'i 2 5850.0*2e prova 500' 622 39 622 74 rr_1aqa 1 596 '1 8612.0 e prova 504' 623 39 623 74 rr_1aqa 1 597 '1M 3793.0 e prova 509' 624 39 624 74 rr_1aqa 1 598 '1M 2850.5 e only800 3182' 625 39 625 74 rr_1aqa 1 599 '3 4675.0 e prova 2755' 626 39 626 74 rr_1aqa 1 600 'r w 5 8065.0*2e prova 2077' 627 39 627 74 rr_1aqa 1 601 'r w 5 11890.0*2e prova 2075' 628 39 628 74 rr_1aqa 1 602 'm 2 8465.0*2e prova 501' 629 39 629 74 rr_1aqa 1 603 '1M 53320.0 e prova 510' 630 38 630 74 rr_1aqa 1 604 '1M 4391.0 e prova 516' 631 38 631 74 rr_1aqa 1 605 '2 45580.0 e prova 1329' 632 39 632 74 rr_1aqa 1 606 '2 2929.0 e prova 1328' 633 39 633 74 rr_1aqa 1 607 '4 3775.0 e prova 2595' 634 39 634 74 rr_1aqa 1 608 '5M 4698.0 e prova 2080' 635 39 635 74 rr_1aqa 1 609 'm 1 50950.0*2e prova 506' 636 39 636 74 rr_1aqa 1 610 'm 1M 7420.0*2e prova 514' 637 38 637 74 rr_1aqa 1 611 'm 1M 20210.0*2e prova 522' 638 38 638 74 rr_1aqa 1 612 'mrw 5 821.8*4e prova 2078' 639 39 639 74 rr_1aqa 1 613 '1M 73820.0 e prova 512' 640 39 640 74 rr_1aqa 1 614 '1M 72420.0 e prova 518' 641 39 641 74 rr_1aqa 1 615 'r w 5 7240.0*2e prova 2086' 642 39 642 74 rr_1aqa 1 616 'r w 5 3142.5*2e prova 2087' 643 39 643 74 rr_1aqa 1 617 'w 5M 2906.0 e prova 2623' 644 39 644 74 rr_1aqa 1 618 '5M 9768.0 e prova 2090' 645 39 645 74 rr_1aqa 1 619 'w 5M 3368.0 e prova 2094' 646 39 646 74 rr_1aqa 1 620 'm 5M 48490.0 e prova 2092' 647 38 647 74 rr_1aqa 1 621 '5M 6161.0 e prova 2095' 648 39 648 74 rr_1aqa 1 622 '5M 25920.0 e prova 2096' 649 38 649 74 rr_1aqa 1 623 'w 5M 1879.0 e prova 2624' 650 39 650 74 rr_1aqa 1 624 '5M 5968.0 e prova 2618' 651 39 651 74 rr_1aqa 1 625 'w 5M 1760.5 e only800 3186' 652 39 652 74 rr_1aqa 1 626 'm 5M 8895.0*2e prova 2101' 653 38 653 74 rr_1aqa 1 627 'm w 5M 3994.5*2e prova 2104' 654 39 654 74 rr_1aqa 1 628 '5M 5710.0 e prova 1149' 655 39 655 74 rr_1aqa 1 629 '5M 37810.0 e prova 1178' 656 39 656 74 rr_1aqa 1 630 'r w 5M 3281.5*2e prova 2082' 657 39 657 74 rr_1aqa 1 631 'r 5M 6345.0*2e prova 2083' 658 39 658 74 rr_1aqa 1 632 'm w 5M 3457.0 e prova 2843' 659 38 659 74 rr_1aqa 1 633 'w 5M 3876.0 e prova 2099' 660 38 660 74 rr_1aqa 1 634 'm w 5M 2228.5*2e prova 2844' 661 38 661 74 rr_1aqa 1 635 '5M 4624.0 e prova 1170' 662 39 662 74 rr_1aqa 1 636 '5M 8722.0 e prova 2530' 663 39 663 74 rr_1aqa 1 637 '5M 13190.0 e prova 1171' 664 39 664 74 rr_1aqa 1 638 '5M 13070.0 e prova 1150' 665 39 665 74 rr_1aqa 1 639 '5M 21000.0 e prova 1177' 666 39 666 74 rr_1aqa 1 640 '2 85560.0 e prova 528' 668 39 668 74 rr_1aqa 1 641 'i 2 3695.0*2e prova 525' 669 39 669 74 rr_1aqa 1 642 '2 13710.0 e prova 1333' 670 39 670 74 rr_1aqa 1 643 '4 3996.0 e prova 2108' 671 39 671 74 rr_1aqa 1 644 '5M 46880.0 e prova 2105' 672 39 672 74 rr_1aqa 1 645 'm 2 24410.0*2e prova 527' 673 39 673 74 rr_1aqa 1 646 '2 13140.0 e prova 1331' 674 39 674 74 rr_1aqa 1 647 '2 9910.0 e prova 1335' 675 39 675 74 rr_1aqa 1 648 '5M 27760.0 e prova 2109' 676 39 676 74 rr_1aqa 1 649 'm 2 5735.0*2e prova 1336' 677 39 677 74 rr_1aqa 1 650 'm w 5M 2325.0*2e prova 2111' 678 39 678 74 rr_1aqa 1 651 '2 82630.0 e prova 530' 680 39 680 74 rr_1aqa 1 652 'w 1 2277.0 e prova 3002' 681 39 681 74 rr_1aqa 1 653 '2 6216.0 e prova 1338' 682 39 682 74 rr_1aqa 1 654 '4 5934.0 e prova 2112' 683 39 683 74 rr_1aqa 1 655 'm 2 6060.0*2e prova 532' 684 39 684 74 rr_1aqa 1 656 '5M 53390.0 e prova 2117' 685 38 685 74 rr_1aqa 1 657 'w 5M 3750.0 e prova 2115' 686 38 686 74 rr_1aqa 1 658 'm 5 65750.0*2e prova 2118' 687 39 687 74 rr_1aqa 1 659 'm 1 17095.0*2e prova 534' 688 39 688 74 rr_1aqa 1 660 'mmw 5 3217.5*4e prova 2845' 689 39 689 74 rr_1aqa 1 661 'mmw 5 1904.0*4e prova 3001' 690 39 690 74 rr_1aqa 1 662 '1 229500.0 e prova 537 HIS 27' 691 39 691 81 rr_1aqa 1 663 'w 5M 2217.0 e prova 3021' 692 38 692 74 rr_1aqa 1 664 '5M 9563.0 e prova 3019' 693 38 693 74 rr_1aqa 1 665 'm w 5 3608.0*2e prova 3057' 694 39 694 74 rr_1aqa 1 666 'm w 5 2238.0*2e prova 2596' 695 39 695 74 rr_1aqa 1 667 '2 58990.0 e prova 538' 697 39 697 74 rr_1aqa 1 668 'i 2 14805.0*2e prova 560 LYS 28(A)' 698 39 698 84 rr_1aqa 1 669 'm 1 18805.0*2e prova 540' 699 39 699 74 rr_1aqa 1 670 'm w 1 2320.5*2e prova 541' 700 39 700 74 rr_1aqa 1 671 '2 3584.0 e prova 2122' 701 39 701 74 rr_1aqa 1 672 'r w 5 4282.0*2e prova 2127' 702 39 702 74 rr_1aqa 1 673 '4 8195.0 e prova 2951' 703 39 703 74 rr_1aqa 1 674 'm 2 15850.0*2e prova 544' 704 39 704 74 rr_1aqa 1 675 'i 1 23915.0*2e prova 543' 705 39 705 74 rr_1aqa 1 676 'm 1 16640.0*2e prova 542' 706 39 706 74 rr_1aqa 1 677 'm 1 4910.0*2e prova 545' 707 39 707 74 rr_1aqa 1 678 '2 25660.0 e prova 1341' 708 39 708 74 rr_1aqa 1 679 '5M 9619.0 e prova 2120' 709 39 709 74 rr_1aqa 1 680 '4 2858.0 e prova 2987' 710 39 710 74 rr_1aqa 1 681 '4 33740.0 e prova 2130' 711 39 711 74 rr_1aqa 1 682 'm w 5 1975.0*2e prova 3004' 712 39 712 74 rr_1aqa 1 683 'm w 5 9310.0*2e prova 2134' 713 39 713 74 rr_1aqa 1 684 'mm 1 61525.0*4e prova 549' 714 39 714 74 rr_1aqa 1 685 'mm 1 11127.5*4e prova 557' 715 39 715 74 rr_1aqa 1 686 'm 2 10825.0*2e prova 1342' 716 39 716 74 rr_1aqa 1 687 'm w 5M 2442.0*2e prova 2123' 717 39 717 74 rr_1aqa 1 688 'mrw 5 1095.0*4e prova 2128' 718 39 718 74 rr_1aqa 1 689 'mrw 5 12167.5*4e prova 2124' 719 39 719 74 rr_1aqa 1 690 'm w 5M 1551.0*2e prova 2929' 720 39 720 74 rr_1aqa 1 691 'm 5 32740.0*2e prova 2129' 721 39 721 74 rr_1aqa 1 692 'mm 1 8940.0*4e prova 552' 722 39 722 74 rr_1aqa 1 693 'mrw 5 1486.8*4e prova 2171' 723 39 723 74 rr_1aqa 1 694 'm w 5 2227.5*2e prova 3003' 724 39 724 74 rr_1aqa 1 695 'mmw 5 1069.2*4e prova 2846' 725 39 725 74 rr_1aqa 1 696 'mm 1 7465.0*4e prova 551' 726 39 726 74 rr_1aqa 1 697 'mrw 5 3440.0*4e prova 2136' 727 39 727 74 rr_1aqa 1 698 'm w 5M 2573.5*2e prova 2930' 728 39 728 74 rr_1aqa 1 699 'mmw 5 16555.0*4e prova 2137' 729 39 729 74 rr_1aqa 1 700 'm w 5 1035.5*2e prova 2869' 730 39 730 74 rr_1aqa 1 701 'mmw 5 1237.0*4e prova 3005' 731 39 731 74 rr_1aqa 1 702 '2 16230.0 e prova 561' 733 39 733 74 rr_1aqa 1 703 '1M 5015.0 e prova 563' 734 38 734 74 rr_1aqa 1 704 '1M 13120.0 e prova 562' 735 38 735 74 rr_1aqa 1 705 '4 8402.0 e prova 2950' 736 39 736 74 rr_1aqa 1 706 '2 11190.0 e prova 566' 737 39 737 74 rr_1aqa 1 707 '1M 26620.0 e prova 564' 738 39 738 74 rr_1aqa 1 708 '1M 18460.0 e prova 565' 739 39 739 74 rr_1aqa 1 709 '2 41750.0 e prova 1345' 740 39 740 74 rr_1aqa 1 710 'r w 5 11370.0*2e prova 2636' 741 39 741 74 rr_1aqa 1 711 '5M 8293.0 e prova 2642' 742 39 742 74 rr_1aqa 1 712 's 1M 136300.0 e prova 573' 743 39 743 74 rr_1aqa 1 713 '1M 100800.0 e prova 574' 744 39 744 74 rr_1aqa 1 714 'm w 5 1269.5*2e prova 2139' 745 39 745 74 rr_1aqa 1 715 'w 5 3087.0 e prova 2141' 746 39 746 74 rr_1aqa 1 716 '5M 8768.0 e prova 2140' 747 39 747 74 rr_1aqa 1 717 '5 23040.0 e prova 2142' 748 39 748 74 rr_1aqa 1 718 'w 5 9743.0 e prova 2144' 749 39 749 74 rr_1aqa 1 719 '5M 34250.0 e prova 2146' 750 39 750 74 rr_1aqa 1 720 'w 5M 2145.0 e prova 1693' 751 39 751 74 rr_1aqa 1 721 'm 5M 7347.0 e prova 2640' 752 39 752 74 rr_1aqa 1 722 '5M 18250.0 e prova 2150' 753 39 753 74 rr_1aqa 1 723 'm 5M 93050.0 e prova 2148' 754 39 754 74 rr_1aqa 1 724 '5M 6810.0 e prova 2152' 755 38 755 74 rr_1aqa 1 725 '5M 10910.0 e prova 2153' 756 39 756 74 rr_1aqa 1 726 'w 5M 2355.0 e prova 3006' 757 38 757 74 rr_1aqa 1 727 'm w 5M 2835.0*2e prova 3023' 758 39 758 74 rr_1aqa 1 728 'm 5M 7723.0 e prova 2158' 759 39 759 74 rr_1aqa 1 729 'm 5M 5934.0 e prova 3025' 760 39 760 74 rr_1aqa 1 730 'w 5M 1967.0 e prova 2990' 761 38 761 74 rr_1aqa 1 731 'w 5M 3592.0 e prova 2847' 762 39 762 74 rr_1aqa 1 732 '5M 11240.0 e prova 2154' 763 39 763 74 rr_1aqa 1 733 '5M 5242.0 e prova 2643' 764 39 764 74 rr_1aqa 1 734 '5M 23210.0 e prova 2155' 765 38 765 74 rr_1aqa 1 735 '2 5114.0 e prova 91' 767 39 767 74 rr_1aqa 1 736 'i 2 12900.0*2e prova 89' 768 39 768 74 rr_1aqa 1 737 'r 1 15205.0*2e prova 92' 769 39 769 74 rr_1aqa 1 738 '2 23690.0 e prova 1346' 770 39 770 74 rr_1aqa 1 739 '2 8330.0 e prova 2162' 771 39 771 74 rr_1aqa 1 740 'w 2 1468.0 e prova 2160' 772 39 772 74 rr_1aqa 1 741 'm 2 2135.5*2e prova 96' 773 39 773 74 rr_1aqa 1 742 'm w 1 2125.5*2e prova 99' 774 39 774 74 rr_1aqa 1 743 '2 47320.0 e prova 1348' 775 39 775 74 rr_1aqa 1 744 '4 12740.0 e prova 2849' 776 39 776 74 rr_1aqa 1 745 '4 11250.0 e prova 2164' 777 39 777 74 rr_1aqa 1 746 '5M 6507.0 e prova 2165' 778 39 778 74 rr_1aqa 1 747 'mr 1 9230.0*4e prova 93' 779 39 779 74 rr_1aqa 1 748 'm 5M 16795.0*2e prova 2588' 780 39 780 74 rr_1aqa 1 749 'mrw 5 1495.0*4e prova 2850' 781 39 781 74 rr_1aqa 1 750 'rr 1 12707.5*4e prova 94' 782 39 782 74 rr_1aqa 1 751 'r w 5 2846.0*2e prova 2592' 783 39 783 74 rr_1aqa 1 752 'rmw 5 6160.0*4e prova 2173' 784 39 784 74 rr_1aqa 1 753 'r w 5 4828.0*2e prova 2169' 785 39 785 74 rr_1aqa 1 754 'rrw 5 9220.0*4e prova 2176' 786 39 786 74 rr_1aqa 1 755 'rmw 5 2685.0*4e prova 2177' 787 39 787 74 rr_1aqa 1 756 '2 22000.0 e prova 584' 789 39 789 74 rr_1aqa 1 757 '2 45840.0 e prova 579' 790 38 790 74 rr_1aqa 1 758 '2 1909.0 e prova 2954' 791 38 791 74 rr_1aqa 1 759 'm w 5 3709.0*2e prova 2621' 792 39 792 74 rr_1aqa 1 760 'r w 5 2489.0*2e prova 2179' 793 39 793 74 rr_1aqa 1 761 '4 3370.0 e prova 2955' 794 39 794 74 rr_1aqa 1 762 '4 2476.0 e prova 2752' 795 39 795 74 rr_1aqa 1 763 '5M 40000.0 e prova 2182' 796 39 796 74 rr_1aqa 1 764 'w 5 5774.0 e prova 2181' 797 39 797 74 rr_1aqa 1 765 '5M 4785.0 e prova 2185' 798 39 798 74 rr_1aqa 1 766 '2 15060.0 e prova 583' 799 39 799 74 rr_1aqa 1 767 '2 9166.0 e prova 588 ASP 31' 800 39 800 81 rr_1aqa 1 768 '2 21760.0 e prova 1350' 801 39 801 74 rr_1aqa 1 769 'w 5M 3724.0 e prova 2587' 802 39 802 74 rr_1aqa 1 770 'w 5M 2823.0 e prova 2187' 803 39 803 74 rr_1aqa 1 771 '2 3100.0 e prova 1351' 804 39 804 74 rr_1aqa 1 772 '5M 57850.0 e prova 2188' 805 39 805 74 rr_1aqa 1 773 'w 5 2344.0 e prova 2871' 806 39 806 74 rr_1aqa 1 774 '5M 12000.0 e prova 1998' 807 39 807 74 rr_1aqa 1 775 '2 4628.0 e prova 1354' 808 39 808 74 rr_1aqa 1 776 '2 35440.0 e prova 594' 810 39 810 74 rr_1aqa 1 777 'i 2 20780.0*2e prova 596' 811 39 811 74 rr_1aqa 1 778 '1 42540.0 e prova 590' 812 39 812 74 rr_1aqa 1 779 '1M 28920.0 e prova 597' 813 39 813 74 rr_1aqa 1 780 '1M 18380.0 e prova 593' 814 39 814 74 rr_1aqa 1 781 '1 12910.0 e prova 599' 815 39 815 74 rr_1aqa 1 782 'm 1 39175.0*2e prova 610' 816 39 816 74 rr_1aqa 1 783 'm 1M 90200.0*2e prova 609' 817 39 817 74 rr_1aqa 1 784 'm 1M 106500.0*2e prova 604' 818 39 818 74 rr_1aqa 1 785 'm w 5M 1055.5*2e prova 2872' 819 39 819 74 rr_1aqa 1 786 'mrw 5 675.8*4e prova 2873' 820 39 820 74 rr_1aqa 1 787 '1M 6791.0 e prova 602' 821 38 821 74 rr_1aqa 1 788 '1M 34650.0 e prova 608' 822 38 822 74 rr_1aqa 1 789 '5M 29360.0 e prova 2194' 823 39 823 74 rr_1aqa 1 790 'm 5M 42470.0 e prova 2561' 824 39 824 74 rr_1aqa 1 791 '5M 12160.0 e prova 2196' 825 39 825 74 rr_1aqa 1 792 '2 18520.0 e prova 2649' 827 39 827 74 rr_1aqa 1 793 '2 9786.0 e prova 2648' 828 39 828 74 rr_1aqa 1 794 '1M 8416.0 e prova 2650' 829 39 829 74 rr_1aqa 1 795 '2 8133.0 e prova 2651' 830 39 830 74 rr_1aqa 1 796 '1M 50390.0 e prova 2655' 831 39 831 74 rr_1aqa 1 797 'w 3 2581.0 e prova 2730' 832 39 832 74 rr_1aqa 1 798 'm w 3 1259.5*2e prova 2907' 833 39 833 74 rr_1aqa 1 799 '1M 43970.0 e prova 2657' 834 39 834 74 rr_1aqa 1 800 'w 5M 2306.0 e prova 2659' 835 39 835 74 rr_1aqa 1 801 '2 29210.0 e prova 470' 837 39 837 74 rr_1aqa 1 802 'i 2 23725.0*2e prova 472' 838 39 838 74 rr_1aqa 1 803 'm 1 4626.5*2e prova 486' 839 39 839 74 rr_1aqa 1 804 'm 1 9190.0*2e prova 473' 840 39 840 74 rr_1aqa 1 805 'm 1 17950.0*2e prova 471' 841 39 841 74 rr_1aqa 1 806 '2 9631.0 e prova 1356' 842 39 842 74 rr_1aqa 1 807 'w 3 1811.0 e prova 2733' 843 39 843 74 rr_1aqa 1 808 '3 2741.0 e prova 2910' 844 39 844 74 rr_1aqa 1 809 'm 2 10675.0*2e prova 475' 845 39 845 74 rr_1aqa 1 810 'i 1 27540.0*2e prova 487' 846 39 846 74 rr_1aqa 1 811 'm 1 12125.0*2e prova 474' 847 39 847 74 rr_1aqa 1 812 '2 8643.0 e prova 1357' 848 39 848 74 rr_1aqa 1 813 '3 2752.0 e prova 2875' 849 39 849 74 rr_1aqa 1 814 'w 3 1901.0 e prova 2908' 850 39 850 74 rr_1aqa 1 815 '3 9191.0 e prova 2731' 851 39 851 74 rr_1aqa 1 816 'mm 1 14412.5*4e prova 491 LYS 34(A)' 852 39 852 84 rr_1aqa 1 817 'mm 1 17400.0*4e prova 481' 853 39 853 74 rr_1aqa 1 818 'mmw 1 2166.2*4e prova 485' 854 39 854 74 rr_1aqa 1 819 'mrw 5 2892.5*4e prova 2198' 855 39 855 74 rr_1aqa 1 820 'm w 3 1434.0*2e prova 2909' 856 39 856 74 rr_1aqa 1 821 'mm 1 65875.0*4e prova 490' 857 39 857 74 rr_1aqa 1 822 'mmw 1 1034.5*4e prova 480' 858 39 858 74 rr_1aqa 1 823 '2 10520.0 e prova 459' 860 39 860 74 rr_1aqa 1 824 '2 29630.0 e prova 461' 861 39 861 74 rr_1aqa 1 825 '2 55640.0 e prova 460' 862 39 862 74 rr_1aqa 1 826 'r 1 4542.5*2e prova 2199' 863 39 863 74 rr_1aqa 1 827 '2 47780.0 e prova 1367' 864 39 864 74 rr_1aqa 1 828 'w 5 11740.0 e prova 2200' 865 39 865 74 rr_1aqa 1 829 '2 4197.0 e prova 468' 866 39 866 74 rr_1aqa 1 830 '2 4921.0 e prova 469 PHE 35(A)' 867 39 867 84 rr_1aqa 1 831 'm 1 10060.0*2e prova 2193' 868 39 868 74 rr_1aqa 1 832 '2 4769.0 e prova 1368' 869 39 869 74 rr_1aqa 1 833 'w 3 2407.0 e prova 2911' 870 39 870 74 rr_1aqa 1 834 '3 3434.0 e prova 2912' 871 39 871 74 rr_1aqa 1 835 'w 3 1702.0 e prova 2913' 872 39 872 74 rr_1aqa 1 836 'r 1 28620.0*2e prova 2190' 873 38 873 74 rr_1aqa 1 837 '2 19000.0 e prova 1369' 874 39 874 74 rr_1aqa 1 838 'w 5 2014.0 e prova 2201' 875 39 875 74 rr_1aqa 1 839 'r w 5 1332.5*2e prova 2691' 876 39 876 74 rr_1aqa 1 840 'r 1 5670.0*2e prova 2688' 877 38 877 74 rr_1aqa 1 841 'rrw 1 3415.0*4e prova 228 PHE 35(A) parte aromatica' 878 39 878 100 rr_1aqa 1 842 'r 1 48090.0*2e prova 226' 879 39 879 74 rr_1aqa 1 843 'rmw 5 2885.0*4e prova 2204' 880 39 880 74 rr_1aqa 1 844 'r w 5 1512.5*2e prova 2205' 881 39 881 74 rr_1aqa 1 845 'r w 5 955.0*2e prova 2215' 882 39 882 74 rr_1aqa 1 846 'rmw 5 1062.0*4e prova 2219' 883 39 883 74 rr_1aqa 1 847 'r 5M 8765.0*2e prova 2226' 884 39 884 74 rr_1aqa 1 848 'r 5M 4672.5*2e prova 2225' 885 39 885 74 rr_1aqa 1 849 'r w 5M 1863.5*2e prova 1198' 886 39 886 74 rr_1aqa 1 850 'r w 5M 3900.5*2e prova 2877' 887 39 887 74 rr_1aqa 1 851 'rrw 5 1206.8*4e prova 2690' 888 39 888 74 rr_1aqa 1 852 'r 1 38195.0*2e prova 225' 889 39 889 74 rr_1aqa 1 853 'r w 5 12325.0*2e prova 2210' 890 39 890 74 rr_1aqa 1 854 'r w 5 5095.0*2e prova 2207' 891 39 891 74 rr_1aqa 1 855 'r w 5 2825.5*2e prova 1196' 892 39 892 74 rr_1aqa 1 856 'rmw 5 2070.2*4e prova 2218' 893 39 893 74 rr_1aqa 1 857 'r w 5 16980.0*2e prova 2221' 894 39 894 74 rr_1aqa 1 858 'r w 5M 1875.0*2e prova 2931' 895 39 895 74 rr_1aqa 1 859 'r w 5 8525.0*2e prova 1164' 896 39 896 74 rr_1aqa 1 860 'r 5M 6130.0*2e prova 1202' 897 39 897 74 rr_1aqa 1 861 'r w 5 3761.0*2e prova 2233' 898 39 898 74 rr_1aqa 1 862 'w 5 6259.0 e prova 2212' 899 39 899 74 rr_1aqa 1 863 'w 5 1069.0 e prova 2214' 900 39 900 74 rr_1aqa 1 864 'm w 5 2289.5*2e prova 2224' 901 39 901 74 rr_1aqa 1 865 '5 39120.0 e prova 2222' 902 39 902 74 rr_1aqa 1 866 '5M 6678.0 e prova 2230' 903 39 903 74 rr_1aqa 1 867 '5M 4925.0 e prova 2229' 904 39 904 74 rr_1aqa 1 868 'w 5 4556.0 e prova 1163' 905 39 905 74 rr_1aqa 1 869 '5M 13040.0 e prova 1200' 906 39 906 74 rr_1aqa 1 870 'w 5 6371.0 e prova 2235' 907 39 907 74 rr_1aqa 1 871 'r w 5 1417.0*2e prova 2689' 908 39 908 74 rr_1aqa 1 872 '2 42780.0 e prova 384' 910 39 910 74 rr_1aqa 1 873 'i 2 30745.0*2e prova 386' 911 39 911 74 rr_1aqa 1 874 '1 56350.0 e prova 385' 912 39 912 74 rr_1aqa 1 875 '1M 14340.0 e prova 387' 913 39 913 74 rr_1aqa 1 876 '1M 12950.0 e prova 388' 914 39 914 74 rr_1aqa 1 877 '2 24320.0 e prova 1372' 915 39 915 74 rr_1aqa 1 878 'w 5M 3995.0 e prova 2241' 916 39 916 74 rr_1aqa 1 879 'm 2 7810.0*2e prova 401' 917 39 917 74 rr_1aqa 1 880 '1 86230.0 e prova 1361' 918 39 918 74 rr_1aqa 1 881 '1M 8967.0 e prova 402' 919 38 919 74 rr_1aqa 1 882 '1M 52650.0 e prova 389' 920 38 920 74 rr_1aqa 1 883 '2 4107.0 e prova 1373' 921 39 921 74 rr_1aqa 1 884 '2 4419.0 e prova 1378' 922 39 922 74 rr_1aqa 1 885 '3 3141.0 e prova 2735' 923 39 923 74 rr_1aqa 1 886 '3 2906.0 e prova 2736' 924 39 924 74 rr_1aqa 1 887 '4 7125.0 e prova 3101' 925 39 925 74 rr_1aqa 1 888 'm w 5 2920.0*2e prova 3103' 926 39 926 74 rr_1aqa 1 889 '5M 44990.0 e prova 2237' 927 39 927 74 rr_1aqa 1 890 'm 1 99100.0*2e prova 1365 LEU 36(A)other' 928 39 928 89 rr_1aqa 1 891 'm 1M 31360.0*2e prova 404' 929 38 929 74 rr_1aqa 1 892 'm 1M 9275.0*2e prova 406 LEU 36(A)' 930 38 930 84 rr_1aqa 1 893 'm 2 11960.0*2e prova 1375' 931 39 931 74 rr_1aqa 1 894 'm 5M 6160.0*2e prova 2240' 932 39 932 74 rr_1aqa 1 895 '1M 62440.0 e prova 1363' 933 39 933 74 rr_1aqa 1 896 '1M 43080.0 e prova 396' 934 39 934 74 rr_1aqa 1 897 '5M 18350.0 e prova 2251' 935 39 935 74 rr_1aqa 1 898 'm 5M 21260.0 e prova 2252' 936 39 936 74 rr_1aqa 1 899 '5M 17690.0 e prova 2243' 937 39 937 74 rr_1aqa 1 900 'm 5M 5920.0*2e prova 2245' 938 39 938 74 rr_1aqa 1 901 'w 5M 3331.0 e prova 2249' 939 39 939 74 rr_1aqa 1 902 '5M 31950.0 e prova 2248' 940 39 940 74 rr_1aqa 1 903 '5M 27800.0 e prova 2247' 941 39 941 74 rr_1aqa 1 904 'm 5M 61980.0 e prova 2253' 942 39 942 74 rr_1aqa 1 905 'w 5M 2879.0 e prova 2256' 943 39 943 74 rr_1aqa 1 906 '2 22840.0 e prova 367' 945 39 945 74 rr_1aqa 1 907 '2 13680.0 e prova 369' 946 38 946 74 rr_1aqa 1 908 '2 41800.0 e prova 370' 947 38 947 74 rr_1aqa 1 909 'm 1 17235.0*2e prova 368' 948 39 948 74 rr_1aqa 1 910 '2 24590.0 e prova 1379' 949 39 949 74 rr_1aqa 1 911 '3 2858.0 e prova 2260' 950 39 950 74 rr_1aqa 1 912 'm w 5 1668.5*2e prova 2262' 951 39 951 74 rr_1aqa 1 913 '2 158400.0 e prova 375' 952 39 952 74 rr_1aqa 1 914 'i 1 32855.0*2e prova 376' 953 39 953 74 rr_1aqa 1 915 '2 6900.0 e prova 1381' 954 39 954 74 rr_1aqa 1 916 '2 6058.0 e prova 1383' 955 39 955 74 rr_1aqa 1 917 '3 5397.0 e prova 2258' 956 39 956 74 rr_1aqa 1 918 'm 1 217950.0*2e prova 383 GLU 37(A)' 957 38 957 84 rr_1aqa 1 919 '2 4175.0 e prova 1385' 958 38 958 74 rr_1aqa 1 920 'm 1 26740.0*2e prova 382' 959 38 959 74 rr_1aqa 1 921 '2 12250.0 e prova 1388' 960 38 960 74 rr_1aqa 1 922 '2 7281.0 e prova 407' 962 39 962 74 rr_1aqa 1 923 '2 7291.0 e prova 408' 963 39 963 74 rr_1aqa 1 924 '2 3896.0 e prova 415' 964 39 964 74 rr_1aqa 1 925 '2 14620.0 e prova 1390' 965 39 965 74 rr_1aqa 1 926 '2 28680.0 e prova 411' 966 38 966 74 rr_1aqa 1 927 '2 3226.0 e prova 416' 967 38 967 74 rr_1aqa 1 928 '2 7608.0 e prova 1391' 968 39 968 74 rr_1aqa 1 929 '2 5077.0 e prova 2265' 969 39 969 74 rr_1aqa 1 930 '2 6394.0 e prova 2823' 970 39 970 74 rr_1aqa 1 931 '2 12710.0 e prova 279' 972 39 972 74 rr_1aqa 1 932 '2 13820.0 e prova 280' 973 39 973 74 rr_1aqa 1 933 '2 24980.0 e prova 281' 974 39 974 74 rr_1aqa 1 934 '2 5936.0 e prova 283' 975 39 975 74 rr_1aqa 1 935 '2 10020.0 e prova 282' 976 39 976 74 rr_1aqa 1 936 '5 26010.0 e prova 1591' 977 39 977 74 rr_1aqa 1 937 '5 33440.0 e prova 1588' 978 39 978 74 rr_1aqa 1 938 'w 3 1535.0 e prova 3097' 979 39 979 74 rr_1aqa 1 939 'w 5M 2139.0 e prova 2684' 980 39 980 74 rr_1aqa 1 940 'w 5 1852.0 e prova 2686' 981 39 981 74 rr_1aqa 1 941 'w 3 2566.0 e prova 3091' 982 39 982 74 rr_1aqa 1 942 'w 3 2329.0 e prova 3096' 983 39 983 74 rr_1aqa 1 943 '5M 8700.0 e prova 2274' 984 39 984 74 rr_1aqa 1 944 'w 5 1920.0 e prova 2822' 985 39 985 74 rr_1aqa 1 945 '5M 10200.0 e prova 2270' 986 39 986 74 rr_1aqa 1 946 'm 2 2953.5*2e prova 1064' 988 39 988 74 rr_1aqa 1 947 'i 1 13515.0*2e prova 1065' 989 39 989 74 rr_1aqa 1 948 '1 18790.0 e prova 1063' 990 39 990 74 rr_1aqa 1 949 '1 39750.0 e prova 1066' 991 39 991 74 rr_1aqa 1 950 '2 3274.0 e prova 1393' 992 39 992 74 rr_1aqa 1 951 '2 5344.0 e prova 1395' 993 39 993 74 rr_1aqa 1 952 'm 1 24670.0*2e prova 1072' 994 38 994 74 rr_1aqa 1 953 'm 1 5815.0*2e prova 1061' 995 38 995 74 rr_1aqa 1 954 'm 2 4749.5*2e prova 2263' 996 39 996 74 rr_1aqa 1 955 'm 1 4543.5*2e prova 1071' 997 39 997 74 rr_1aqa 1 956 'm w 5 4559.5*2e prova 2276' 998 39 998 74 rr_1aqa 1 957 '2 12610.0 e prova 437' 1000 38 1000 74 rr_1aqa 1 958 '2 50800.0 e prova 436' 1001 38 1001 74 rr_1aqa 1 959 'w 5M 3268.0 e prova 3095' 1002 39 1002 74 rr_1aqa 1 960 'w 5M 1899.0 e prova 1184' 1003 39 1003 74 rr_1aqa 1 961 '3 4316.0 e prova 2792' 1004 39 1004 74 rr_1aqa 1 962 '5M 18410.0 e prova 2279' 1005 39 1005 74 rr_1aqa 1 963 '2 47660.0 e prova 257' 1007 39 1007 74 rr_1aqa 1 964 '2 44800.0 e prova 260' 1008 39 1008 74 rr_1aqa 1 965 '2 10560.0 e prova 1397' 1009 39 1009 74 rr_1aqa 1 966 '2 15320.0 e prova 1399' 1010 39 1010 74 rr_1aqa 1 967 'm w 3 888.5*2e prova 3099' 1011 39 1011 74 rr_1aqa 1 968 '2 23590.0 e prova 1400' 1012 39 1012 74 rr_1aqa 1 969 '2 2590.0 e prova 3098' 1013 39 1013 74 rr_1aqa 1 970 '2 16790.0 e prova 419' 1015 39 1015 74 rr_1aqa 1 971 '2 17870.0 e prova 420' 1016 39 1016 74 rr_1aqa 1 972 '2 19990.0 e prova 421' 1017 39 1017 74 rr_1aqa 1 973 'm 1 6430.0*2e prova 1434' 1018 39 1018 74 rr_1aqa 1 974 '3 2760.0 e prova 3162' 1019 39 1019 74 rr_1aqa 1 975 '2 29080.0 e prova 425' 1020 39 1020 74 rr_1aqa 1 976 '2 18450.0 e prova 426' 1021 39 1021 74 rr_1aqa 1 977 'i 1 5730.0*2e prova 427' 1022 39 1022 74 rr_1aqa 1 978 '2 5401.0 e prova 1403' 1023 39 1023 74 rr_1aqa 1 979 '2 3750.0 e prova 1407' 1024 39 1024 74 rr_1aqa 1 980 '3 7101.0 e prova 2284' 1025 39 1025 74 rr_1aqa 1 981 '3 3970.0 e prova 2283' 1026 39 1026 74 rr_1aqa 1 982 '5M 7973.0 e prova 2281' 1027 39 1027 74 rr_1aqa 1 983 'w 3 2294.0 e prova 3108' 1028 39 1028 74 rr_1aqa 1 984 'm 1 16230.0*2e prova 430' 1029 38 1029 74 rr_1aqa 1 985 '2 5035.0 e prova 1406' 1030 39 1030 74 rr_1aqa 1 986 'w 5M 1565.0 e prova 3106' 1031 39 1031 74 rr_1aqa 1 987 '3 16420.0 e prova 2288' 1032 39 1032 74 rr_1aqa 1 988 'm 1 66000.0*2e prova 429' 1033 38 1033 74 rr_1aqa 1 989 '2 3152.0 e prova 1405' 1034 39 1034 74 rr_1aqa 1 990 'm w 5 3419.5*2e prova 3104' 1035 39 1035 74 rr_1aqa 1 991 'm 5 22115.0*2e prova 2287' 1036 39 1036 74 rr_1aqa 1 992 'm w 5M 1511.5*2e prova 3107' 1037 39 1037 74 rr_1aqa 1 993 '2 24600.0 e prova 290' 1039 39 1039 74 rr_1aqa 1 994 'i 2 40890.0*2e prova 292' 1040 39 1040 74 rr_1aqa 1 995 'm 1 5050.0*2e prova 291' 1041 39 1041 74 rr_1aqa 1 996 '2 12590.0 e prova 1410' 1042 39 1042 74 rr_1aqa 1 997 'w 5M 1255.0 e prova 2852' 1043 39 1043 74 rr_1aqa 1 998 '3 5025.0 e prova 3164' 1044 39 1044 74 rr_1aqa 1 999 '3 2830.0 e prova 3113' 1045 39 1045 74 rr_1aqa 1 1000 'm 2 29590.0*2e prova 293' 1046 39 1046 74 rr_1aqa 1 1001 'i 1 8695.0*2e prova 294' 1047 39 1047 74 rr_1aqa 1 1002 '2 7799.0 e prova 1411' 1048 39 1048 74 rr_1aqa 1 1003 '3 3305.0 e prova 3112' 1049 39 1049 74 rr_1aqa 1 1004 '3 9752.0 e prova 2293' 1050 39 1050 74 rr_1aqa 1 1005 'm 3 24875.0*2e prova 2291' 1051 39 1051 74 rr_1aqa 1 1006 '3 7668.0 e prova 2738' 1052 39 1052 74 rr_1aqa 1 1007 '3 21830.0 e prova 2295' 1053 39 1053 74 rr_1aqa 1 1008 'm w 5 3450.5*2e prova 2853' 1054 39 1054 74 rr_1aqa 1 1009 'mm 1 10842.5*4e prova 296' 1055 39 1055 74 rr_1aqa 1 1010 'm 2 20080.0*2e prova 1413' 1056 39 1056 74 rr_1aqa 1 1011 'm w 2 1230.5*2e prova 3115' 1057 39 1057 74 rr_1aqa 1 1012 'mmw 5 1127.2*4e prova 3114' 1058 39 1058 74 rr_1aqa 1 1013 'm w 5 1043.5*2e prova 3109' 1059 39 1059 74 rr_1aqa 1 1014 '2 29530.0 e prova 316' 1061 39 1061 74 rr_1aqa 1 1015 '2 22390.0 e prova 302' 1062 39 1062 74 rr_1aqa 1 1016 '1M 49970.0 e prova 303' 1063 39 1063 74 rr_1aqa 1 1017 '1M 49010.0 e prova 304' 1064 39 1064 74 rr_1aqa 1 1018 '2 28610.0 e prova 1415' 1065 39 1065 74 rr_1aqa 1 1019 '3 4922.0 e prova 2739' 1066 39 1066 74 rr_1aqa 1 1020 '2 67840.0 e prova 307' 1067 39 1067 74 rr_1aqa 1 1021 '1M 64030.0 e prova 314' 1068 39 1068 74 rr_1aqa 1 1022 '1M 41900.0 e prova 305' 1069 39 1069 74 rr_1aqa 1 1023 '2 3959.0 e prova 1418' 1070 39 1070 74 rr_1aqa 1 1024 'w 2 1508.0 e prova 1421' 1071 39 1071 74 rr_1aqa 1 1025 '3 2726.0 e prova 3166' 1072 39 1072 74 rr_1aqa 1 1026 '1M 104100.0 e prova 313' 1073 39 1073 74 rr_1aqa 1 1027 '1M 71380.0 e prova 309' 1074 39 1074 74 rr_1aqa 1 1028 '2 15070.0 e prova 1419' 1075 39 1075 74 rr_1aqa 1 1029 'w 5 4933.0 e prova 2694' 1076 39 1076 74 rr_1aqa 1 1030 'w 5 2895.0 e prova 2628' 1077 39 1077 74 rr_1aqa 1 1031 '5M 9135.0 e prova 2305' 1078 39 1078 74 rr_1aqa 1 1032 'm 5M 17325.0*2e prova 2307' 1079 39 1079 74 rr_1aqa 1 1033 'w 5M 1435.0 e prova 2696' 1080 39 1080 74 rr_1aqa 1 1034 '5M 17520.0 e prova 1156' 1081 39 1081 74 rr_1aqa 1 1035 '5M 23620.0 e prova 1186' 1082 39 1082 74 rr_1aqa 1 1036 '5M 15600.0 e prova 2298' 1083 39 1083 74 rr_1aqa 1 1037 'w 5M 2564.0 e prova 2297' 1084 39 1084 74 rr_1aqa 1 1038 '5M 12360.0 e prova 2303' 1085 39 1085 74 rr_1aqa 1 1039 'm 5M 36500.0 e prova 2300' 1086 39 1086 74 rr_1aqa 1 1040 'm 5M 91740.0 e prova 2301' 1087 39 1087 74 rr_1aqa 1 1041 '5M 10760.0 e prova 2791' 1088 39 1088 74 rr_1aqa 1 1042 '5M 5853.0 e prova 2692' 1089 39 1089 74 rr_1aqa 1 1043 'w 5M 3335.0 e prova 2693' 1090 39 1090 74 rr_1aqa 1 1044 '5M 21700.0 e prova 1155' 1091 39 1091 74 rr_1aqa 1 1045 '5M 20220.0 e prova 1185' 1092 39 1092 74 rr_1aqa 1 1046 '2 14030.0 e prova 47' 1094 39 1094 74 rr_1aqa 1 1047 '2 28740.0 e prova 48' 1095 39 1095 74 rr_1aqa 1 1048 '2 23360.0 e prova 49' 1096 39 1096 74 rr_1aqa 1 1049 '1 45440.0 e prova 50' 1097 39 1097 74 rr_1aqa 1 1050 '1M 14270.0 e prova 51' 1098 39 1098 74 rr_1aqa 1 1051 '1M 17180.0 e prova 85' 1099 39 1099 74 rr_1aqa 1 1052 '2 38980.0 e prova 1423' 1100 39 1100 74 rr_1aqa 1 1053 '3 6142.0 e prova 3169' 1101 39 1101 74 rr_1aqa 1 1054 '2 17720.0 e prova 70' 1102 39 1102 74 rr_1aqa 1 1055 '2 38190.0 e prova 71' 1103 39 1103 74 rr_1aqa 1 1056 '1 5584.0 e prova 73' 1104 39 1104 74 rr_1aqa 1 1057 '1M 10710.0 e prova 82' 1105 38 1105 74 rr_1aqa 1 1058 '1M 70760.0 e prova 83' 1106 38 1106 74 rr_1aqa 1 1059 '2 4492.0 e prova 1424' 1107 39 1107 74 rr_1aqa 1 1060 '2 7557.0 e prova 1428' 1108 39 1108 74 rr_1aqa 1 1061 '3 7042.0 e prova 2310' 1109 39 1109 74 rr_1aqa 1 1062 'm 3 3866.0*2e prova 3170' 1110 39 1110 74 rr_1aqa 1 1063 'w 3 1544.0 e prova 3171' 1111 39 1111 74 rr_1aqa 1 1064 'w 5M 3127.0 e prova 2878' 1112 39 1112 74 rr_1aqa 1 1065 '1 37710.0 e prova 74' 1113 39 1113 74 rr_1aqa 1 1066 '1M 42800.0 e prova 80' 1114 39 1114 74 rr_1aqa 1 1067 '1M 27350.0 e prova 81' 1115 39 1115 74 rr_1aqa 1 1068 'm w 5 6595.0*2e prova 2312' 1116 39 1116 74 rr_1aqa 1 1069 '1 32160.0 e prova 59' 1117 39 1117 74 rr_1aqa 1 1070 '1M 45650.0 e prova 78' 1118 39 1118 74 rr_1aqa 1 1071 '1M 31960.0 e prova 79' 1119 39 1119 74 rr_1aqa 1 1072 '2 7610.0 e prova 1426' 1120 39 1120 74 rr_1aqa 1 1073 '1M 68790.0 e prova 76' 1121 39 1121 74 rr_1aqa 1 1074 '1M 71390.0 e prova 77' 1122 39 1122 74 rr_1aqa 1 1075 'm w 5M 2901.5*2e prova 2313' 1123 39 1123 74 rr_1aqa 1 1076 'w 5M 3297.0 e prova 2879' 1124 38 1124 74 rr_1aqa 1 1077 '5M 26970.0 e prova 1154' 1125 39 1125 74 rr_1aqa 1 1078 '5M 65660.0 e prova 1181' 1126 38 1126 74 rr_1aqa 1 1079 '2 19080.0 e prova 442' 1128 39 1128 74 rr_1aqa 1 1080 'i 2 31870.0*2e prova 443' 1129 39 1129 74 rr_1aqa 1 1081 'm 1 16145.0*2e prova 444' 1130 39 1130 74 rr_1aqa 1 1082 '2 33490.0 e prova 1430' 1131 39 1131 74 rr_1aqa 1 1083 '3 3434.0 e prova 3172' 1132 39 1132 74 rr_1aqa 1 1084 'i 2 55500.0*2e prova 447' 1133 39 1133 74 rr_1aqa 1 1085 'i 1 24250.0*2e prova 449' 1134 39 1134 74 rr_1aqa 1 1086 '2 4454.0 e prova 1431' 1135 39 1135 74 rr_1aqa 1 1087 '3 2865.0 e prova 3173' 1136 39 1136 74 rr_1aqa 1 1088 '3 11610.0 e prova 2314' 1137 39 1137 74 rr_1aqa 1 1089 '3M 41240.0 e prova 2316' 1138 39 1138 74 rr_1aqa 1 1090 'mm 1 17722.5*4e prova 450' 1139 39 1139 74 rr_1aqa 1 1091 'm 2 13625.0*2e prova 1433 Sequence' 1140 39 1140 83 rr_1aqa 1 1092 '2 55170.0 e prova 320' 1142 39 1142 74 rr_1aqa 1 1093 '2 3376.0 e prova 322' 1143 38 1143 74 rr_1aqa 1 1094 '2 46790.0 e prova 323' 1144 38 1144 74 rr_1aqa 1 1095 'm 1 8325.0*2e prova 321' 1145 39 1145 74 rr_1aqa 1 1096 '2 27570.0 e prova 1439' 1146 39 1146 74 rr_1aqa 1 1097 '3 4948.0 e prova 2321' 1147 39 1147 74 rr_1aqa 1 1098 '2 23880.0 e prova 325' 1148 39 1148 74 rr_1aqa 1 1099 '2 50530.0 e prova 324' 1149 39 1149 74 rr_1aqa 1 1100 'i 1 14730.0*2e prova 333' 1150 39 1150 74 rr_1aqa 1 1101 '2 6898.0 e prova 1441' 1151 39 1151 74 rr_1aqa 1 1102 '2 10130.0 e prova 1444' 1152 39 1152 74 rr_1aqa 1 1103 '3 6334.0 e prova 2319' 1153 39 1153 74 rr_1aqa 1 1104 'm 1 27010.0*2e prova 327' 1154 38 1154 74 rr_1aqa 1 1105 'm 1 10295.0*2e prova 328' 1155 38 1155 74 rr_1aqa 1 1106 '2 5630.0 e prova 1442' 1156 39 1156 74 rr_1aqa 1 1107 'i 2 10460.0*2e prova 454' 1158 39 1158 74 rr_1aqa 1 1108 'm 1 5410.0*2e prova 453' 1159 39 1159 74 rr_1aqa 1 1109 '2 46000.0 e prova 1446' 1160 39 1160 74 rr_1aqa 1 1110 '2M 13880.0 e prova 2322' 1161 39 1161 74 rr_1aqa 1 1111 'm 2 3723.5*2e prova 1437 GLN 49(A)other' 1162 39 1162 89 rr_1aqa 1 1112 '2 6867.0 e prova 1447' 1163 39 1163 74 rr_1aqa 1 1113 '3 7618.0 e prova 2323' 1164 39 1164 74 rr_1aqa 1 1114 'mm 1 40675.0*4e prova 455' 1165 39 1165 74 rr_1aqa 1 1115 'm 2 3121.0*2e prova 1448' 1166 39 1166 74 rr_1aqa 1 1116 'm w 5 5425.0*2e prova 2326' 1167 39 1167 74 rr_1aqa 1 1117 'm 5M 31560.0*2e prova 2324' 1168 39 1168 74 rr_1aqa 1 1118 'm w 5 2864.0*2e prova 2933' 1169 39 1169 74 rr_1aqa 1 1119 '2 21740.0 e prova 268 ALA 50(A)' 1171 39 1171 84 rr_1aqa 1 1120 's 2M 100100.0 e prova 263' 1172 39 1172 74 rr_1aqa 1 1121 '2 3896.0 e prova 1450' 1173 39 1173 74 rr_1aqa 1 1122 's 2M 88490.0 e prova 264' 1174 39 1174 74 rr_1aqa 1 1123 '2 102800.0 e prova 1449' 1175 39 1175 74 rr_1aqa 1 1124 '3 5496.0 e prova 2329' 1176 39 1176 74 rr_1aqa 1 1125 's 2M 65800.0 e prova 1452' 1177 39 1177 74 rr_1aqa 1 1126 '2M 1430.0 e prova 2327' 1178 39 1178 74 rr_1aqa 1 1127 '2 25510.0 e prova 363' 1180 39 1180 74 rr_1aqa 1 1128 '2 54400.0 e prova 364' 1181 39 1181 74 rr_1aqa 1 1129 '2 20670.0 e prova 1457' 1182 39 1182 74 rr_1aqa 1 1130 '2 3390.0 e prova 1458' 1183 39 1183 74 rr_1aqa 1 1131 '2 9748.0 e prova 1462' 1184 39 1184 74 rr_1aqa 1 1132 '2 5022.0 e prova 1459' 1185 39 1185 74 rr_1aqa 1 1133 '2 11040.0 e prova 1461' 1186 39 1186 74 rr_1aqa 1 1134 '2 11400.0 e prova 819 GLY 52(A)' 1188 39 1188 84 rr_1aqa 1 1135 '2 3770.0 e prova 1463' 1189 39 1189 74 rr_1aqa 1 1136 '2 6866.0 e prova 1464' 1190 39 1190 74 rr_1aqa 1 1137 '2 7055.0 e prova 174' 1192 39 1192 74 rr_1aqa 1 1138 '2 23290.0 e prova 175' 1193 39 1193 74 rr_1aqa 1 1139 '2 22710.0 e prova 176' 1194 39 1194 74 rr_1aqa 1 1140 '2 7161.0 e prova 185 ASP 53(A)' 1195 39 1195 84 rr_1aqa 1 1141 '2 13240.0 e prova 177' 1196 39 1196 74 rr_1aqa 1 1142 '2 27700.0 e prova 1467' 1197 39 1197 74 rr_1aqa 1 1143 '3 3247.0 e prova 2740' 1198 39 1198 74 rr_1aqa 1 1144 '3 6230.0 e prova 2743' 1199 39 1199 74 rr_1aqa 1 1145 'm w 5 7750.0*2e prova 2332' 1200 39 1200 74 rr_1aqa 1 1146 '2 48800.0 e prova 46 ALA 54(A)' 1202 39 1202 84 rr_1aqa 1 1147 '2M 39020.0 e prova 42' 1203 39 1203 74 rr_1aqa 1 1148 '2 25840.0 e prova 1469' 1204 39 1204 74 rr_1aqa 1 1149 'w 3 1387.0 e prova 2742' 1205 39 1205 74 rr_1aqa 1 1150 's 2M 114400.0 e prova 43' 1206 39 1206 74 rr_1aqa 1 1151 '2 15500.0 e prova 1470' 1207 39 1207 74 rr_1aqa 1 1152 'm w 5 4678.5*2e prova 2614' 1208 39 1208 74 rr_1aqa 1 1153 '3 3642.0 e prova 2914' 1209 39 1209 74 rr_1aqa 1 1154 'w 3 2166.0 e prova 2915' 1210 39 1210 74 rr_1aqa 1 1155 '3 2931.0 e prova 2917' 1211 39 1211 74 rr_1aqa 1 1156 '2M 7522.0 e prova 1472' 1212 39 1212 74 rr_1aqa 1 1157 'm 5M 6915.0*2e prova 2334' 1213 39 1213 74 rr_1aqa 1 1158 '3M 1664.6 e only800 3179' 1214 39 1214 74 rr_1aqa 1 1159 '3M 3439.0 e prova 2620' 1215 39 1215 74 rr_1aqa 1 1160 'm w 5M 3584.5*2e prova 2363' 1216 39 1216 74 rr_1aqa 1 1161 '5M 23410.0 e prova 2602' 1217 39 1217 74 rr_1aqa 1 1162 '2 15000.0 e prova 340' 1219 39 1219 74 rr_1aqa 1 1163 '2 16780.0 e prova 348 THR 55(A)' 1220 39 1220 84 rr_1aqa 1 1164 '1M 4674.0 e prova 341' 1221 39 1221 74 rr_1aqa 1 1165 '2 10910.0 e prova 1477' 1222 39 1222 74 rr_1aqa 1 1166 '2 2377.2 e only800 3194' 1223 39 1223 74 rr_1aqa 1 1167 'm w 5 10280.0*2e prova 2340' 1224 39 1224 74 rr_1aqa 1 1168 '3 2953.9 e only800 3188' 1225 39 1225 74 rr_1aqa 1 1169 '2 24530.0 e prova 343' 1226 39 1226 74 rr_1aqa 1 1170 '1M 78470.0 e prova 347' 1227 39 1227 74 rr_1aqa 1 1171 '2 9839.0 e prova 1474' 1228 39 1228 74 rr_1aqa 1 1172 '3 2855.0 e prova 2799' 1229 39 1229 74 rr_1aqa 1 1173 'm 3 16465.0*2e prova 2343' 1230 39 1230 74 rr_1aqa 1 1174 'w 3 2258.0 e prova 2800' 1231 39 1231 74 rr_1aqa 1 1175 'm w 3 1242.5*2e prova 2616' 1232 39 1232 74 rr_1aqa 1 1176 'm w 5 2794.5*2e prova 2796' 1233 39 1233 74 rr_1aqa 1 1177 'm w 5 2049.5*2e prova 2344' 1234 39 1234 74 rr_1aqa 1 1178 '1M 82890.0 e prova 342' 1235 39 1235 74 rr_1aqa 1 1179 '2 34430.0 e prova 1475' 1236 39 1236 74 rr_1aqa 1 1180 'w 5 1225.4 e only800 3192' 1237 39 1237 74 rr_1aqa 1 1181 'w 3 747.8 e only800 3215' 1238 39 1238 74 rr_1aqa 1 1182 '5M 18270.0 e prova 2336' 1239 39 1239 74 rr_1aqa 1 1183 '5M 14830.0 e prova 2337' 1240 39 1240 74 rr_1aqa 1 1184 'w 5M 1045.0 e prova 2918' 1241 39 1241 74 rr_1aqa 1 1185 'w 5M 1669.4 e only800 3187' 1242 39 1242 74 rr_1aqa 1 1186 'm w 5M 1172.3*2e only800 3190' 1243 39 1243 74 rr_1aqa 1 1187 'w 5M 2428.0 e prova 2801' 1244 39 1244 74 rr_1aqa 1 1188 '2 39580.0 e prova 357' 1246 39 1246 74 rr_1aqa 1 1189 '2 119900.0 e prova 354' 1247 38 1247 74 rr_1aqa 1 1190 '2 14340.0 e prova 355' 1248 38 1248 74 rr_1aqa 1 1191 'm 1 18610.0*2e prova 356' 1249 39 1249 74 rr_1aqa 1 1192 '2 35290.0 e prova 1480' 1250 39 1250 74 rr_1aqa 1 1193 '3 4589.0 e prova 2745' 1251 39 1251 74 rr_1aqa 1 1194 'w 3 1518.0 e only800 3195' 1252 39 1252 74 rr_1aqa 1 1195 'w 3 1606.0 e prova 2805' 1253 39 1253 74 rr_1aqa 1 1196 '2 94140.0 e prova 361' 1254 38 1254 74 rr_1aqa 1 1197 '2 6471.0 e prova 2347' 1255 38 1255 74 rr_1aqa 1 1198 'i 1 7430.0*2e prova 359' 1256 39 1256 74 rr_1aqa 1 1199 '2 3213.0 e prova 1482' 1257 39 1257 74 rr_1aqa 1 1200 '2 5939.0 e prova 2797' 1258 39 1258 74 rr_1aqa 1 1201 '3 2818.0 e prova 2803' 1259 39 1259 74 rr_1aqa 1 1202 'm w 3 2471.0*2e prova 2744' 1260 39 1260 74 rr_1aqa 1 1203 '3 3010.0 e prova 2920' 1261 39 1261 74 rr_1aqa 1 1204 '3 10830.0 e prova 2359' 1262 39 1262 74 rr_1aqa 1 1205 '2 63320.0 e prova 1484' 1263 39 1263 74 rr_1aqa 1 1206 '2 5568.0 e prova 2345' 1264 39 1264 74 rr_1aqa 1 1207 '3 4445.0 e prova 2919' 1265 39 1265 74 rr_1aqa 1 1208 'w 3 998.3 e only800 3198' 1266 39 1266 74 rr_1aqa 1 1209 'm 1 23690.0*2e prova 350' 1267 39 1267 74 rr_1aqa 1 1210 'mmw 5 3617.5*4e prova 2348' 1268 39 1268 74 rr_1aqa 1 1211 '2 10690.0 e prova 822' 1270 39 1270 74 rr_1aqa 1 1212 '2 37360.0 e prova 820' 1271 39 1271 74 rr_1aqa 1 1213 '2 51240.0 e prova 1486' 1272 39 1272 74 rr_1aqa 1 1214 'm 2 22200.0*2e prova 2351' 1273 39 1273 74 rr_1aqa 1 1215 'w 3 1329.8 e only800 3205' 1274 39 1274 74 rr_1aqa 1 1216 'w 3 1238.2 e only800 3200' 1275 39 1275 74 rr_1aqa 1 1217 '2 20900.0 e prova 825 ASN 57(A)' 1276 39 1276 84 rr_1aqa 1 1218 'm 2 5885.0*2e prova 2349' 1277 39 1277 74 rr_1aqa 1 1219 'w 3 1651.8 e only800 3207' 1278 39 1278 74 rr_1aqa 1 1220 '3 5289.5 e only800 3201' 1279 39 1279 74 rr_1aqa 1 1221 'w 3 2258.0 e prova 2807' 1280 38 1280 74 rr_1aqa 1 1222 '3 7297.0 e prova 2806' 1281 38 1281 74 rr_1aqa 1 1223 'w 3 1236.0 e prova 2966' 1282 39 1282 74 rr_1aqa 1 1224 '2 51320.0 e prova 1488' 1283 39 1283 74 rr_1aqa 1 1225 'w 5M 807.0 e only800 3203' 1284 39 1284 74 rr_1aqa 1 1226 '2 2084.0 e prova 1012' 1286 39 1286 74 rr_1aqa 1 1227 'i 2 40030.0*2e prova 1011' 1287 39 1287 74 rr_1aqa 1 1228 '2 19160.0 e prova 1491' 1288 39 1288 74 rr_1aqa 1 1229 'm 5 18215.0*2e prova 2354' 1289 39 1289 74 rr_1aqa 1 1230 '3 4693.0 e prova 2625' 1290 39 1290 74 rr_1aqa 1 1231 'w 5M 2043.0 e prova 2971' 1291 39 1291 74 rr_1aqa 1 1232 'm w 2 735.5*2e only800 3184' 1292 39 1292 74 rr_1aqa 1 1233 'w 3 1497.2 e only800 3211' 1293 39 1293 74 rr_1aqa 1 1234 'w 3 1093.7 e only800 3209' 1294 39 1294 74 rr_1aqa 1 1235 'm 2 12190.0*2e prova 1492' 1295 39 1295 74 rr_1aqa 1 1236 'mmw 5 695.2*4e prova 2358' 1296 39 1296 74 rr_1aqa 1 1237 'mm 5 20412.5*4e prova 2355' 1297 39 1297 74 rr_1aqa 1 1238 'm w 3 730.0*2e prova 2921' 1298 39 1298 74 rr_1aqa 1 1239 'm w 5M 4228.5*2e prova 2362' 1299 39 1299 74 rr_1aqa 1 1240 'm w 5M 1788.0*2e prova 2360' 1300 39 1300 74 rr_1aqa 1 1241 'm 5M 6125.0*2e prova 2855' 1301 39 1301 74 rr_1aqa 1 1242 'mmw 5 3367.5*4e prova 2365' 1302 39 1302 74 rr_1aqa 1 1243 '2 3759.0 e prova 2795' 1304 39 1304 74 rr_1aqa 1 1244 'i 2 9030.0*2e prova 1016' 1305 39 1305 74 rr_1aqa 1 1245 'm w 1 2779.0*2e prova 1015' 1306 39 1306 74 rr_1aqa 1 1246 '2 18420.0 e prova 1495' 1307 39 1307 74 rr_1aqa 1 1247 'w 3 1715.0 e prova 2968' 1308 39 1308 74 rr_1aqa 1 1248 'm 2 4660.5*2e prova 1017' 1309 39 1309 74 rr_1aqa 1 1249 'm 2 7950.0*2e prova 1496' 1310 39 1310 74 rr_1aqa 1 1250 'm w 5 5055.0*2e prova 2368' 1311 39 1311 74 rr_1aqa 1 1251 'm w 5 2841.0*2e prova 2367' 1312 39 1312 74 rr_1aqa 1 1252 'm w 5 718.5*2e prova 2372' 1313 39 1313 74 rr_1aqa 1 1253 'm w 5 4214.0*2e prova 2370' 1314 39 1314 74 rr_1aqa 1 1254 'm w 5 1956.0*2e prova 2881' 1315 39 1315 74 rr_1aqa 1 1255 '2 40400.0 e prova 837 ASP 60(A)' 1317 39 1317 84 rr_1aqa 1 1256 '2 27390.0 e prova 835' 1318 38 1318 74 rr_1aqa 1 1257 '2 74590.0 e prova 836' 1319 38 1319 74 rr_1aqa 1 1258 '2 22270.0 e prova 1498' 1320 39 1320 74 rr_1aqa 1 1259 'w 5M 2316.0 e prova 2974' 1321 39 1321 74 rr_1aqa 1 1260 'w 3 2241.0 e prova 2626' 1322 39 1322 74 rr_1aqa 1 1261 '2 15570.0 e prova 833' 1323 38 1323 74 rr_1aqa 1 1262 '2 40080.0 e prova 830' 1324 38 1324 74 rr_1aqa 1 1263 '2 7377.0 e prova 1501' 1325 39 1325 74 rr_1aqa 1 1264 '3 6247.0 e prova 2377' 1326 39 1326 74 rr_1aqa 1 1265 '2 7225.0 e prova 1503' 1327 39 1327 74 rr_1aqa 1 1266 '3 4958.0 e prova 2374' 1328 39 1328 74 rr_1aqa 1 1267 '2 7715.0 e prova 1502' 1329 39 1329 74 rr_1aqa 1 1268 'w 5M 1281.0 e prova 2973' 1330 39 1330 74 rr_1aqa 1 1269 '3 8421.0 e prova 2375' 1331 39 1331 74 rr_1aqa 1 1270 '2 31570.0 e prova 30' 1333 39 1333 74 rr_1aqa 1 1271 '2 39970.0 e prova 22' 1334 39 1334 74 rr_1aqa 1 1272 '1M 63300.0 e prova 21' 1335 38 1335 74 rr_1aqa 1 1273 '1M 14170.0 e prova 23' 1336 38 1336 74 rr_1aqa 1 1274 '2 30950.0 e prova 1507' 1337 39 1337 74 rr_1aqa 1 1275 '3 4873.0 e prova 2969' 1338 39 1338 74 rr_1aqa 1 1276 '2 23780.0 e prova 25' 1339 39 1339 74 rr_1aqa 1 1277 '1M 68680.0 e prova 24' 1340 39 1340 74 rr_1aqa 1 1278 '1M 66070.0 e prova 26' 1341 39 1341 74 rr_1aqa 1 1279 '2 3563.0 e prova 1509' 1342 39 1342 74 rr_1aqa 1 1280 '2 4498.0 e prova 1512' 1343 39 1343 74 rr_1aqa 1 1281 '2 6028.0 e prova 1513' 1344 39 1344 74 rr_1aqa 1 1282 '1M 37230.0 e prova 27' 1345 39 1345 74 rr_1aqa 1 1283 '1M 69210.0 e prova 29' 1346 39 1346 74 rr_1aqa 1 1284 '2 11880.0 e prova 1510' 1347 39 1347 74 rr_1aqa 1 1285 '5M 4249.0 e prova 2977' 1348 39 1348 74 rr_1aqa 1 1286 '5M 16040.0 e prova 2629' 1349 39 1349 74 rr_1aqa 1 1287 '5M 5551.0 e prova 2980' 1350 39 1350 74 rr_1aqa 1 1288 'w 5M 1507.0 e prova 2517' 1351 39 1351 74 rr_1aqa 1 1289 '5M 36650.0 e prova 1160' 1352 38 1352 74 rr_1aqa 1 1290 '5M 45460.0 e prova 1221' 1353 38 1353 74 rr_1aqa 1 1291 '5M 6229.0 e prova 2380' 1354 39 1354 74 rr_1aqa 1 1292 'w 5M 3820.0 e prova 2382' 1355 39 1355 74 rr_1aqa 1 1293 'w 5M 3617.0 e prova 2857' 1356 39 1356 74 rr_1aqa 1 1294 '5M 9815.0 e prova 1159' 1357 38 1357 74 rr_1aqa 1 1295 '5M 16020.0 e prova 1189' 1358 38 1358 74 rr_1aqa 1 1296 'w 5M 4037.0 e prova 2715' 1359 39 1359 74 rr_1aqa 1 1297 '5M 7202.0 e prova 2726' 1360 39 1360 74 rr_1aqa 1 1298 '2 30270.0 e prova 161 GLY (62)' 1362 39 1362 83 rr_1aqa 1 1299 '2 39840.0 e prova 160' 1363 39 1363 74 rr_1aqa 1 1300 '2 15720.0 e prova 1515' 1364 39 1364 74 rr_1aqa 1 1301 '2 5006.0 e prova 1516' 1365 39 1365 74 rr_1aqa 1 1302 '2 10060.0 e prova 1517' 1366 39 1366 74 rr_1aqa 1 1303 '2 7808.0 e prova 274' 1368 39 1368 74 rr_1aqa 1 1304 'i 2 12565.0*2e prova 270' 1369 39 1369 74 rr_1aqa 1 1305 'm 2 8195.0*2e prova 271' 1370 39 1370 74 rr_1aqa 1 1306 '1 11360.0 e prova 2671' 1371 39 1371 74 rr_1aqa 1 1307 '2 80360.0 e prova 1519' 1372 39 1372 74 rr_1aqa 1 1308 '2 6263.0 e prova 2824' 1373 39 1373 74 rr_1aqa 1 1309 '3M 14700.0 e prova 2385' 1374 39 1374 74 rr_1aqa 1 1310 'm w 2 1029.5*2e prova 2825' 1375 39 1375 74 rr_1aqa 1 1311 'm 5M 33820.0*2e prova 2387' 1376 39 1376 74 rr_1aqa 1 1312 'm w 5 7010.0*2e prova 2392' 1377 39 1377 74 rr_1aqa 1 1313 '1 102400.0 e prova 275' 1378 39 1378 74 rr_1aqa 1 1314 '5M 120000.0 e prova 2859' 1379 39 1379 74 rr_1aqa 1 1315 '1 36380.0 e prova 2701' 1380 39 1380 74 rr_1aqa 1 1316 '1 6209.0 e prova 2707' 1381 39 1381 74 rr_1aqa 1 1317 '1 7970.0 e prova 2706' 1382 39 1382 74 rr_1aqa 1 1318 '1M 4231.0 e prova 2703' 1383 39 1383 74 rr_1aqa 1 1319 '1 18090.0 e prova 2697' 1384 39 1384 74 rr_1aqa 1 1320 '1M 11490.0 e prova 2704' 1385 39 1385 74 rr_1aqa 1 1321 '1 5087.0 e prova 2698' 1386 39 1386 74 rr_1aqa 1 1322 '1 26430.0 e prova 2699' 1387 39 1387 74 rr_1aqa 1 1323 '1 29850.0 e prova 2700' 1388 39 1388 74 rr_1aqa 1 1324 '1M 59990.0 e prova 2502' 1389 39 1389 74 rr_1aqa 1 1325 '1M 4734.0 e prova 2647' 1390 39 1390 74 rr_1aqa 1 1326 'w 5M 1202.0 e prova 2828' 1391 39 1391 74 rr_1aqa 1 1327 'w 5M 1991.0 e prova 2633' 1392 39 1392 74 rr_1aqa 1 1328 '5M 29290.0 e prova 1192' 1393 39 1393 74 rr_1aqa 1 1329 '1M 65660.0 e prova 2504' 1394 39 1394 74 rr_1aqa 1 1330 '5M 10550.0 e prova 2604' 1395 39 1395 74 rr_1aqa 1 1331 'w 5 7860.0 e prova 1218' 1396 39 1396 74 rr_1aqa 1 1332 '1M 6242.0 e prova 2678' 1397 39 1397 74 rr_1aqa 1 1333 '1M 15550.0 e prova 2532' 1398 39 1398 74 rr_1aqa 1 1334 '1M 2816.0 e prova 2533' 1399 39 1399 74 rr_1aqa 1 1335 'w 5M 3535.0 e prova 2607' 1400 39 1400 74 rr_1aqa 1 1336 '5M 10910.0 e prova 2608' 1401 39 1401 74 rr_1aqa 1 1337 '5M 14890.0 e prova 2784' 1402 39 1402 74 rr_1aqa 1 1338 '5M 14350.0 e prova 1226' 1403 39 1403 74 rr_1aqa 1 1339 '5M 36900.0 e prova 1225' 1404 39 1404 74 rr_1aqa 1 1340 'r w 5M 998.0*2e prova 1206 HEM' 1405 39 1405 78 rr_1aqa 1 1341 'r w 5M 3926.5*2e prova 1205' 1406 39 1406 74 rr_1aqa 1 1342 '1 8165.0 e prova 2677' 1407 39 1407 74 rr_1aqa 1 1343 '1 12510.0 e prova 2524' 1408 39 1408 74 rr_1aqa 1 1344 'w 5M 1272.0 e prova 2783' 1409 38 1409 74 rr_1aqa 1 1345 '5M 5278.0 e prova 2782' 1410 38 1410 74 rr_1aqa 1 1346 '1 26070.0 e prova 2528' 1411 39 1411 74 rr_1aqa 1 1347 '1 11710.0 e prova 2525' 1412 39 1412 74 rr_1aqa 1 1348 'w 1M 1299.0 e prova 2790' 1413 39 1413 74 rr_1aqa 1 1349 'w 5M 4173.0 e prova 2777' 1414 39 1414 74 rr_1aqa 1 1350 'w 1 2175.0 e prova 2527' 1415 39 1415 74 rr_1aqa 1 1351 '5M 4850.0 e prova 2779' 1416 38 1416 74 rr_1aqa 1 1352 '5M 12760.0 e prova 2778' 1417 38 1417 74 rr_1aqa 1 1353 '1M 84640.0 e prova 1223' 1418 39 1418 74 rr_1aqa 1 1354 '5M 9635.0 e prova 2787' 1419 38 1419 74 rr_1aqa 1 1355 'w 5M 3588.0 e prova 2788' 1420 38 1420 74 rr_1aqa 1 1356 '1M 2329.0 e prova 2519' 1421 39 1421 74 rr_1aqa 1 1357 '1M 15230.0 e prova 2680' 1422 39 1422 74 rr_1aqa 1 1358 '1M 5529.0 e prova 2681' 1423 39 1423 74 rr_1aqa 1 1359 '1 4739.0 e prova 2515' 1424 39 1424 74 rr_1aqa 1 1360 '1 17450.0 e prova 2511' 1425 39 1425 74 rr_1aqa 1 1361 'w 1M 1429.0 e prova 2516' 1426 39 1426 74 rr_1aqa 1 1362 '1 30770.0 e prova 2682' 1427 39 1427 74 rr_1aqa 1 1363 '1 4549.0 e prova 2683' 1428 39 1428 74 rr_1aqa 1 1364 'w 1 2703.0 e prova 2508' 1429 39 1429 74 rr_1aqa 1 1365 '1M 85640.0 e prova 2507' 1430 39 1430 74 rr_1aqa 1 1366 '1M 6638.0 e prova 2719' 1431 39 1431 74 rr_1aqa 1 1367 '1M 7490.0 e prova 2721' 1432 39 1432 74 rr_1aqa 1 1368 '1 29190.0 e prova 2712' 1433 39 1433 74 rr_1aqa 1 1369 '1 17080.0 e prova 2713' 1434 39 1434 74 rr_1aqa 1 1370 'w 1 1982.0 e prova 2718' 1435 39 1435 74 rr_1aqa 1 1371 '1 56540.0 e prova 2723' 1436 39 1436 74 rr_1aqa 1 1372 '1 10300.0 e prova 2725' 1437 39 1437 74 rr_1aqa 1 1373 '2 13180.0 e prova 1060 SER 64(A)' 1439 39 1439 84 rr_1aqa 1 1374 'i 2 44350.0*2e prova 1056' 1440 39 1440 74 rr_1aqa 1 1375 '3M 29600.0 e prova 2631' 1441 39 1441 74 rr_1aqa 1 1376 'w 3 1891.0 e prova 3134' 1442 39 1442 74 rr_1aqa 1 1377 'm 2 3737.0*2e prova 1058' 1443 39 1443 74 rr_1aqa 1 1378 '2 14480.0 e prova 1523' 1444 39 1444 74 rr_1aqa 1 1379 '2 4645.0 e prova 3131' 1445 39 1445 74 rr_1aqa 1 1380 'm w 2 1454.0*2e prova 2826' 1446 39 1446 74 rr_1aqa 1 1381 '2 16640.0 e prova 1046' 1448 39 1448 74 rr_1aqa 1 1382 '2 11610.0 e prova 1045' 1449 39 1449 74 rr_1aqa 1 1383 '1M 28660.0 e prova 1047' 1450 39 1450 74 rr_1aqa 1 1384 'm 2 1701.5*2e prova 3136' 1451 39 1451 74 rr_1aqa 1 1385 'w 3 1109.0 e prova 3140' 1452 39 1452 74 rr_1aqa 1 1386 '2 27180.0 e prova 1052' 1453 39 1453 74 rr_1aqa 1 1387 '1M 65280.0 e prova 1049' 1454 39 1454 74 rr_1aqa 1 1388 '2 4050.0 e prova 1525' 1455 39 1455 74 rr_1aqa 1 1389 '3 8659.0 e prova 2401' 1456 39 1456 74 rr_1aqa 1 1390 'm 3 16920.0*2e prova 2396' 1457 39 1457 74 rr_1aqa 1 1391 's 1M 116700.0 e prova 1048' 1458 39 1458 74 rr_1aqa 1 1392 '2 11230.0 e prova 1526' 1459 39 1459 74 rr_1aqa 1 1393 '5M 9090.0 e prova 2393' 1460 39 1460 74 rr_1aqa 1 1394 '5M 16400.0 e prova 2398' 1461 39 1461 74 rr_1aqa 1 1395 '5M 4489.0 e prova 2395' 1462 39 1462 74 rr_1aqa 1 1396 'm w 5M 1279.0*2e prova 3139' 1463 39 1463 74 rr_1aqa 1 1397 '5M 7222.0 e prova 2402' 1464 39 1464 74 rr_1aqa 1 1398 'm w 5M 2900.5*2e prova 3141' 1465 39 1465 74 rr_1aqa 1 1399 'm 5M 15835.0*2e prova 2404' 1466 39 1466 74 rr_1aqa 1 1400 '2 2037.0 e prova 1127' 1468 39 1468 74 rr_1aqa 1 1401 'i 2 14995.0*2e prova 1128' 1469 39 1469 74 rr_1aqa 1 1402 '2 15850.0 e prova 1530' 1470 39 1470 74 rr_1aqa 1 1403 'i 2 7875.0*2e prova 1129' 1471 39 1471 74 rr_1aqa 1 1404 '3 3552.0 e prova 2956' 1472 39 1472 74 rr_1aqa 1 1405 '3 5242.0 e prova 2407' 1473 39 1473 74 rr_1aqa 1 1406 'm 3 3917.0*2e prova 1935' 1474 39 1474 74 rr_1aqa 1 1407 'm w 5 9290.0*2e prova 2405' 1475 39 1475 74 rr_1aqa 1 1408 'm 2 9300.0*2e prova 1528' 1476 39 1476 74 rr_1aqa 1 1409 'w 2 1236.0 e prova 1123' 1478 39 1478 74 rr_1aqa 1 1410 's 2M 80650.0 e prova 1125' 1479 39 1479 74 rr_1aqa 1 1411 '2 18400.0 e prova 1533' 1480 39 1480 74 rr_1aqa 1 1412 '2M 7911.0 e prova 1126 ALA 67(A)' 1481 39 1481 84 rr_1aqa 1 1413 'w 3 1634.0 e prova 2959' 1482 39 1482 74 rr_1aqa 1 1414 '3 3936.0 e prova 2408' 1483 39 1483 74 rr_1aqa 1 1415 'w 3 1929.0 e prova 2960' 1484 39 1484 74 rr_1aqa 1 1416 's 2M 46430.0 e prova 1534' 1485 39 1485 74 rr_1aqa 1 1417 'm 5M 4306.0 e prova 3147' 1486 39 1486 74 rr_1aqa 1 1418 '2 10360.0 e prova 1120' 1488 39 1488 74 rr_1aqa 1 1419 'i 2 12375.0*2e prova 1118' 1489 39 1489 74 rr_1aqa 1 1420 '2 26020.0 e prova 1539' 1490 39 1490 74 rr_1aqa 1 1421 '3 5820.0 e prova 3152' 1491 39 1491 74 rr_1aqa 1 1422 'i 2 11495.0*2e prova 1119' 1492 39 1492 74 rr_1aqa 1 1423 '2 11530.0 e prova 1540' 1493 39 1493 74 rr_1aqa 1 1424 '2 3847.0 e prova 2670' 1494 39 1494 74 rr_1aqa 1 1425 'm w 5 16220.0*2e prova 2412' 1495 39 1495 74 rr_1aqa 1 1426 'w 3 1449.0 e prova 2634' 1496 39 1496 74 rr_1aqa 1 1427 '3 2803.0 e prova 2746' 1497 39 1497 74 rr_1aqa 1 1428 '3 9464.0 e prova 2414' 1498 39 1498 74 rr_1aqa 1 1429 'm 3 10260.0*2e prova 2413' 1499 39 1499 74 rr_1aqa 1 1430 'm 2 9890.0*2e prova 1536' 1500 39 1500 74 rr_1aqa 1 1431 'mmw 5 5690.0*4e prova 2409' 1501 39 1501 74 rr_1aqa 1 1432 '2 23760.0 e prova 1105' 1503 39 1503 74 rr_1aqa 1 1433 'i 2 36460.0*2e prova 1107' 1504 39 1504 74 rr_1aqa 1 1434 'm 1 15470.0*2e prova 1106' 1505 39 1505 74 rr_1aqa 1 1435 '2 21730.0 e prova 1542' 1506 39 1506 74 rr_1aqa 1 1436 'm 2 60400.0*2e prova 1109' 1507 39 1507 74 rr_1aqa 1 1437 'i 1 18680.0*2e prova 1108' 1508 39 1508 74 rr_1aqa 1 1438 '2 6797.0 e prova 1546' 1509 39 1509 74 rr_1aqa 1 1439 '3 4267.0 e prova 2963' 1510 39 1510 74 rr_1aqa 1 1440 'm 3 2793.0*2e prova 2962' 1511 39 1511 74 rr_1aqa 1 1441 'm 5 39845.0*2e prova 2416' 1512 39 1512 74 rr_1aqa 1 1442 'm w 5 4861.5*2e prova 3156' 1513 39 1513 74 rr_1aqa 1 1443 'w 3 2555.0 e prova 2965' 1514 39 1514 74 rr_1aqa 1 1444 'mm 1 17605.0*4e prova 1110' 1515 39 1515 74 rr_1aqa 1 1445 'm 2 35940.0*2e prova 1545' 1516 39 1516 74 rr_1aqa 1 1446 'mmw 5 10112.5*4e prova 2418' 1517 39 1517 74 rr_1aqa 1 1447 '2 17250.0 e prova 1094' 1519 39 1519 74 rr_1aqa 1 1448 '2 3991.0 e prova 2759' 1520 38 1520 74 rr_1aqa 1 1449 '2 42620.0 e prova 1095' 1521 38 1521 74 rr_1aqa 1 1450 'w 1 2698.0 e prova 1096' 1522 39 1522 74 rr_1aqa 1 1451 '2 18230.0 e prova 1550' 1523 39 1523 74 rr_1aqa 1 1452 '2 15240.0 e prova 2421' 1524 39 1524 74 rr_1aqa 1 1453 '2 11340.0 e prova 1097' 1525 39 1525 74 rr_1aqa 1 1454 'w 1 2155.0 e prova 1098' 1526 39 1526 74 rr_1aqa 1 1455 '2 5464.0 e prova 1549' 1527 39 1527 74 rr_1aqa 1 1456 'm 2 4367.0*2e prova 2420' 1528 39 1528 74 rr_1aqa 1 1457 '1 17850.0 e prova 2766' 1529 39 1529 74 rr_1aqa 1 1458 '1M 36200.0 e prova 2767' 1530 39 1530 74 rr_1aqa 1 1459 '2 10780.0 e prova 3158' 1531 39 1531 74 rr_1aqa 1 1460 '1 25000.0 e prova 1101' 1532 39 1532 74 rr_1aqa 1 1461 '2 19210.0 e prova 1552' 1533 39 1533 74 rr_1aqa 1 1462 'w 5 14190.0 e prova 2423' 1534 39 1534 74 rr_1aqa 1 1463 '1M 26130.0 e prova 2764' 1535 39 1535 74 rr_1aqa 1 1464 '1M 26300.0 e prova 2761' 1536 39 1536 74 rr_1aqa 1 1465 'w 5 6951.0 e prova 2786' 1537 39 1537 74 rr_1aqa 1 1466 'r w 5 4515.0*2e prova 2425' 1538 39 1538 74 rr_1aqa 1 1467 'r 5M 13280.0*2e prova 2771' 1539 39 1539 74 rr_1aqa 1 1468 '2 22720.0 e prova 990' 1541 39 1541 74 rr_1aqa 1 1469 'i 2 7475.0*2e prova 991' 1542 39 1542 74 rr_1aqa 1 1470 '2 13240.0 e prova 1554' 1543 39 1543 74 rr_1aqa 1 1471 'm 2 7295.0*2e prova 992' 1544 39 1544 74 rr_1aqa 1 1472 '2 23940.0 e prova 838' 1546 39 1546 74 rr_1aqa 1 1473 'i 2 30055.0*2e prova 839' 1547 39 1547 74 rr_1aqa 1 1474 'm 1 30350.0*2e prova 840' 1548 39 1548 74 rr_1aqa 1 1475 'm 1 16470.0*2e prova 2638' 1549 39 1549 74 rr_1aqa 1 1476 '2 18590.0 e prova 1557' 1550 39 1550 74 rr_1aqa 1 1477 'm 2 35760.0*2e prova 843' 1551 39 1551 74 rr_1aqa 1 1478 'i 1 12180.0*2e prova 842' 1552 39 1552 74 rr_1aqa 1 1479 'm 1 30750.0*2e prova 841' 1553 39 1553 74 rr_1aqa 1 1480 'm 1 18400.0*2e prova 852' 1554 39 1554 74 rr_1aqa 1 1481 '2 14050.0 e prova 1558' 1555 39 1555 74 rr_1aqa 1 1482 '5M 9031.0 e prova 2565' 1556 39 1556 74 rr_1aqa 1 1483 '3 4144.0 e prova 2437' 1557 39 1557 74 rr_1aqa 1 1484 'm w 5 1232.0*2e prova 2882' 1558 39 1558 74 rr_1aqa 1 1485 'mm 1 41225.0*4e prova 859' 1559 39 1559 74 rr_1aqa 1 1486 'mm 1 14587.5*4e prova 847' 1560 39 1560 74 rr_1aqa 1 1487 'mm 1 4872.5*4e prova 856' 1561 39 1561 74 rr_1aqa 1 1488 'm 2 11160.0*2e prova 1560' 1562 39 1562 74 rr_1aqa 1 1489 'mrw 5 2180.0*4e prova 2433' 1563 39 1563 74 rr_1aqa 1 1490 'mrw 5 3322.5*4e prova 2434' 1564 39 1564 74 rr_1aqa 1 1491 'mm 1 93850.0*4e prova 861 LYS 72(A)' 1565 39 1565 84 rr_1aqa 1 1492 'mm 1 28350.0*4e prova 857' 1566 39 1566 74 rr_1aqa 1 1493 'mm 1 3705.0*4e prova 858' 1567 39 1567 74 rr_1aqa 1 1494 'm 5 20025.0*2e prova 2429' 1568 39 1568 74 rr_1aqa 1 1495 'm w 5 10045.0*2e prova 2427' 1569 39 1569 74 rr_1aqa 1 1496 'm w 5 9880.0*2e prova 2432' 1570 39 1570 74 rr_1aqa 1 1497 'mrw 5 3080.0*4e prova 2435' 1571 39 1571 74 rr_1aqa 1 1498 '2 20680.0 e prova 168' 1573 39 1573 74 rr_1aqa 1 1499 '2 30340.0 e prova 163' 1574 39 1574 74 rr_1aqa 1 1500 '1M 22580.0 e prova 164' 1575 39 1575 74 rr_1aqa 1 1501 '2 24540.0 e prova 1563' 1576 39 1576 74 rr_1aqa 1 1502 '2 49730.0 e prova 170' 1577 39 1577 74 rr_1aqa 1 1503 '1M 36470.0 e prova 165' 1578 39 1578 74 rr_1aqa 1 1504 '2 11010.0 e prova 1564' 1579 39 1579 74 rr_1aqa 1 1505 '1M 64960.0 e prova 166' 1580 39 1580 74 rr_1aqa 1 1506 '2 11790.0 e prova 1566' 1581 39 1581 74 rr_1aqa 1 1507 'm 5 27945.0*2e prova 2444' 1582 39 1582 74 rr_1aqa 1 1508 'r w 5 15540.0*2e prova 2439' 1583 39 1583 74 rr_1aqa 1 1509 'r w 5 2256.0*2e prova 2441' 1584 39 1584 74 rr_1aqa 1 1510 'w 5M 3177.0 e prova 2860' 1585 39 1585 74 rr_1aqa 1 1511 'r 5M 4467.0*2e prova 2775' 1586 39 1586 74 rr_1aqa 1 1512 'r 5M 4550.5*2e prova 2773' 1587 39 1587 74 rr_1aqa 1 1513 'm 5M 8025.0*2e prova 2446' 1588 39 1588 74 rr_1aqa 1 1514 'i 2 4857.0*2e prova 1215' 1590 39 1590 74 rr_1aqa 1 1515 'r 1 11835.0*2e prova 1217 TYR 74(A)' 1591 39 1591 84 rr_1aqa 1 1516 'm w 1 924.5*2e prova 1213' 1592 39 1592 74 rr_1aqa 1 1517 '2 38110.0 e prova 1569' 1593 39 1593 74 rr_1aqa 1 1518 'm w 2 1035.0*2e prova 1214' 1594 39 1594 74 rr_1aqa 1 1519 'm w 1 1576.5*2e prova 2639' 1595 39 1595 74 rr_1aqa 1 1520 'mr 1 10617.5*4e prova 1210' 1596 39 1596 74 rr_1aqa 1 1521 'rr 1 14380.0*4e prova 1212' 1597 39 1597 74 rr_1aqa 1 1522 '2 18940.0 e prova 867' 1599 39 1599 74 rr_1aqa 1 1523 '2 50620.0 e prova 868' 1600 39 1600 74 rr_1aqa 1 1524 '1M 15990.0 e prova 869' 1601 39 1601 74 rr_1aqa 1 1525 'm 1 3796.0*2e prova 870' 1602 39 1602 74 rr_1aqa 1 1526 '2 23410.0 e prova 873' 1603 39 1603 74 rr_1aqa 1 1527 '1M 60640.0 e prova 872' 1604 39 1604 74 rr_1aqa 1 1528 'i 1 8375.0*2e prova 871' 1605 39 1605 74 rr_1aqa 1 1529 '2 154500.0 e prova 1571' 1606 39 1606 74 rr_1aqa 1 1530 '5M 24790.0 e prova 2450' 1607 39 1607 74 rr_1aqa 1 1531 'w 5 8142.0 e prova 2452' 1608 39 1608 74 rr_1aqa 1 1532 '3 23380.0 e prova 2458' 1609 39 1609 74 rr_1aqa 1 1533 '1M 85530.0 e prova 880' 1610 39 1610 74 rr_1aqa 1 1534 'm 1 14270.0*2e prova 878' 1611 39 1611 74 rr_1aqa 1 1535 '3 3669.0 e prova 2993' 1612 39 1612 74 rr_1aqa 1 1536 'm 1M 8710.0*2e prova 886 ILE 75' 1613 39 1613 81 rr_1aqa 1 1537 '5M 65930.0 e prova 2448' 1614 39 1614 74 rr_1aqa 1 1538 '5M 8483.0 e prova 2453' 1615 39 1615 74 rr_1aqa 1 1539 '5M 109200.0 e prova 2457' 1616 39 1616 74 rr_1aqa 1 1540 '5M 36410.0 e prova 2462' 1617 39 1617 74 rr_1aqa 1 1541 'm w 5 6850.0*2e prova 2599' 1618 39 1618 74 rr_1aqa 1 1542 'm w 5 2503.0*2e prova 2456' 1619 39 1619 74 rr_1aqa 1 1543 '2 1906.0 e prova 2949' 1621 39 1621 74 rr_1aqa 1 1544 '1M 33970.0 e prova 890' 1622 39 1622 74 rr_1aqa 1 1545 '1 25400.0 e prova 889' 1623 39 1623 74 rr_1aqa 1 1546 '1 35650.0 e prova 888' 1624 39 1624 74 rr_1aqa 1 1547 '1M 6377.0 e prova 909' 1625 39 1625 74 rr_1aqa 1 1548 '2 100700.0 e prova 1573' 1626 39 1626 74 rr_1aqa 1 1549 '2 7579.0 e prova 891' 1627 39 1627 74 rr_1aqa 1 1550 '1M 5558.0 e prova 892' 1628 39 1628 74 rr_1aqa 1 1551 '1 5576.0 e prova 893' 1629 39 1629 74 rr_1aqa 1 1552 '1M 6492.0 e prova 894' 1630 39 1630 74 rr_1aqa 1 1553 's 1M 133900.0 e prova 898' 1631 39 1631 74 rr_1aqa 1 1554 '1 22580.0 e prova 897' 1632 39 1632 74 rr_1aqa 1 1555 '1 10910.0 e prova 896' 1633 39 1633 74 rr_1aqa 1 1556 '1M 84770.0 e prova 913' 1634 39 1634 74 rr_1aqa 1 1557 '1M 29040.0 e prova 919 ILE 76' 1635 39 1635 81 rr_1aqa 1 1558 '1M 56240.0 e prova 914' 1636 39 1636 74 rr_1aqa 1 1559 'm s 1M 125800.0 e prova 915' 1637 39 1637 74 rr_1aqa 1 1560 '5M 6227.0 e prova 2466' 1638 39 1638 74 rr_1aqa 1 1561 '1M 71560.0 e prova 917' 1639 39 1639 74 rr_1aqa 1 1562 'w 5 12510.0 e prova 2464' 1640 39 1640 74 rr_1aqa 1 1563 '1M 45170.0 e prova 918' 1641 39 1641 74 rr_1aqa 1 1564 'w 5 7151.0 e prova 2467' 1642 39 1642 74 rr_1aqa 1 1565 'w 5M 1707.0 e prova 2884' 1643 39 1643 74 rr_1aqa 1 1566 '2 11480.0 e prova 866 GLY 77' 1645 38 1645 81 rr_1aqa 1 1567 '2 3904.0 e prova 2455' 1646 38 1646 74 rr_1aqa 1 1568 '2 2962.0 e prova 3007' 1647 39 1647 74 rr_1aqa 1 1569 '2 13290.0 e prova 1577' 1648 39 1648 74 rr_1aqa 1 1570 '2 3546.0 e prova 2646' 1649 39 1649 74 rr_1aqa 1 1571 'm w 5 4131.0*2e prova 2994' 1650 39 1650 74 rr_1aqa 1 1572 '2 12320.0 e prova 1576' 1651 39 1651 74 rr_1aqa 1 1573 '2 7310.0 e prova 211' 1653 39 1653 74 rr_1aqa 1 1574 'i 2 8265.0*2e prova 213' 1654 39 1654 74 rr_1aqa 1 1575 'm 1 4760.5*2e prova 212' 1655 39 1655 74 rr_1aqa 1 1576 '2 5853.0 e prova 1578' 1656 39 1656 74 rr_1aqa 1 1577 'm 2 49345.0*2e prova 221' 1657 39 1657 74 rr_1aqa 1 1578 'i 1 16550.0*2e prova 215' 1658 39 1658 74 rr_1aqa 1 1579 '5M 30790.0 e prova 2469' 1659 39 1659 74 rr_1aqa 1 1580 'mm 1 54625.0*4e prova 222 GLU 78' 1660 39 1660 81 rr_1aqa 1 1581 '2 5790.0 e prova 1022' 1662 39 1662 74 rr_1aqa 1 1582 'i w 2 935.5*2e prova 1023' 1663 39 1663 74 rr_1aqa 1 1583 '1M 24250.0 e prova 1025' 1664 38 1664 74 rr_1aqa 1 1584 '1M 5105.0 e prova 1024' 1665 38 1665 74 rr_1aqa 1 1585 '2 12930.0 e prova 1580' 1666 39 1666 74 rr_1aqa 1 1586 '1M 11040.0 e prova 1027' 1667 39 1667 74 rr_1aqa 1 1587 'm 1 27160.0*2e prova 1028' 1668 39 1668 74 rr_1aqa 1 1588 'm 1M 20465.0*2e prova 1030' 1669 38 1669 74 rr_1aqa 1 1589 'm 1M 1506.5*2e prova 1031' 1670 38 1670 74 rr_1aqa 1 1590 'm 5M 6315.0*2e prova 2554' 1671 39 1671 74 rr_1aqa 1 1591 '1M 4101.0 e prova 1034' 1672 38 1672 74 rr_1aqa 1 1592 '1M 20050.0 e prova 1029' 1673 38 1673 74 rr_1aqa 1 1593 'w 5 5318.0 e prova 1020 HG79,HN80' 1674 39 1674 84 rr_1aqa 1 1594 'w 5 2784.0 e prova 3089' 1675 39 1675 74 rr_1aqa 1 1595 'm w 5M 3476.0*2e prova 3031' 1676 39 1676 74 rr_1aqa 1 1596 '5M 5510.0 e prova 3035' 1677 39 1677 74 rr_1aqa 1 1597 '5M 13370.0 e prova 2471' 1678 39 1678 74 rr_1aqa 1 1598 'w 5M 3844.0 e prova 3028' 1679 39 1679 74 rr_1aqa 1 1599 'm 5M 20970.0*2e prova 2474' 1680 39 1680 74 rr_1aqa 1 1600 '5M 5392.0 e prova 2563' 1681 39 1681 74 rr_1aqa 1 1601 'm 5M 49350.0*2e prova 2597' 1682 39 1682 74 rr_1aqa 1 1602 '2 11590.0 e prova 920' 1684 39 1684 74 rr_1aqa 1 1603 'i 2 18000.0*2e prova 921' 1685 39 1685 74 rr_1aqa 1 1604 'w 1 1566.0 e prova 2984' 1686 39 1686 74 rr_1aqa 1 1605 'm 2 13025.0*2e prova 925' 1687 39 1687 74 rr_1aqa 1 1606 '1 8506.0 e prova 923' 1688 39 1688 74 rr_1aqa 1 1607 '5 67940.0 e prova 1587' 1689 39 1689 74 rr_1aqa 1 1608 'm 1 10515.0*2e prova 924' 1690 39 1690 74 rr_1aqa 1 1609 'm w 3 1801.0*2e prova 2478' 1691 39 1691 74 rr_1aqa 1 1610 '1 27080.0 e prova 922' 1692 39 1692 74 rr_1aqa 1 1611 'w 5 3608.0 e prova 2862' 1693 39 1693 74 rr_1aqa 1 1612 '5 22730.0 e prova 2477' 1694 39 1694 74 rr_1aqa 1 1613 'm 2 68950.0*2e prova 997' 1696 39 1696 74 rr_1aqa 1 1614 'i 1 9190.0*2e prova 998' 1697 39 1697 74 rr_1aqa 1 1615 '1 73440.0 e prova 1002' 1698 38 1698 74 rr_1aqa 1 1616 'w 1 2234.0 e prova 995' 1699 38 1699 74 rr_1aqa 1 1617 '2 5017.0 e prova 1584' 1700 39 1700 74 rr_1aqa 1 1618 '3 3499.0 e prova 2747' 1701 39 1701 74 rr_1aqa 1 1619 'm 3 6040.0*2e prova 2750' 1702 39 1702 74 rr_1aqa 1 1620 'm w 5 5135.0*2e prova 3055' 1703 39 1703 74 rr_1aqa 1 1621 'mm 1 19282.5*4e prova 1009 PRO 81' 1704 39 1704 81 rr_1aqa 1 1622 'm 1 119100.0*2e prova 1001' 1705 38 1705 74 rr_1aqa 1 1623 'm 1 13605.0*2e prova 999' 1706 38 1706 74 rr_1aqa 1 1624 'm 2 9180.0*2e prova 1585' 1707 39 1707 74 rr_1aqa 1 1625 'mmw 5 10035.0*4e prova 2480' 1708 39 1708 74 rr_1aqa 1 1626 'm 3 4758.0*2e prova 2486' 1709 39 1709 74 rr_1aqa 1 1627 'm w 1 1731.0*2e prova 1008' 1710 38 1710 74 rr_1aqa 1 1628 'm 1 28275.0*2e prova 1000' 1711 38 1711 74 rr_1aqa 1 1629 'mmw 5 1605.8*4e prova 3052' 1712 39 1712 74 rr_1aqa 1 1630 'w 5 4470.0 e prova 2482' 1713 39 1713 74 rr_1aqa 1 1631 'w 5 3505.0 e prova 2934' 1714 39 1714 74 rr_1aqa 1 1632 '2 4391.0 e prova 936' 1716 39 1716 74 rr_1aqa 1 1633 'i 2 17520.0*2e prova 933' 1717 39 1717 74 rr_1aqa 1 1634 '2 40380.0 e prova 1592' 1718 39 1718 74 rr_1aqa 1 1635 '3 2931.0 e prova 2751' 1719 39 1719 74 rr_1aqa 1 1636 'm w 5 2496.5*2e prova 2889' 1720 39 1720 74 rr_1aqa 1 1637 'm w 5 1303.0*2e prova 2500' 1721 39 1721 74 rr_1aqa 1 1638 'i 2 17775.0*2e prova 934' 1722 39 1722 74 rr_1aqa 1 1639 '2 7854.0 e prova 1594' 1723 39 1723 74 rr_1aqa 1 1640 'w 3 2540.0 e prova 2890' 1724 39 1724 74 rr_1aqa 1 1641 'm w 3 1666.0*2e prova 2905' 1725 39 1725 74 rr_1aqa 1 1642 'm 2 6230.0*2e prova 2863' 1726 39 1726 74 rr_1aqa 1 1643 'mmw 5 12025.0*4e prova 2488' 1727 39 1727 74 rr_1aqa 1 1644 '2 14890.0 e prova 942' 1729 39 1729 74 rr_1aqa 1 1645 'i 2 18335.0*2e prova 939' 1730 39 1730 74 rr_1aqa 1 1646 '2 44080.0 e prova 1595' 1731 39 1731 74 rr_1aqa 1 1647 '2 3270.0 e prova 2886' 1732 39 1732 74 rr_1aqa 1 1648 'w 3 1265.0 e prova 2906' 1733 39 1733 74 rr_1aqa 1 1649 'i 2 14810.0*2e prova 940' 1734 39 1734 74 rr_1aqa 1 1650 '2 16070.0 e prova 1598' 1735 39 1735 74 rr_1aqa 1 1651 'w 3 1067.0 e prova 2891' 1736 39 1736 74 rr_1aqa 1 1652 'w 3 1063.0 e prova 2892' 1737 39 1737 74 rr_1aqa 1 1653 '3 11210.0 e prova 2490' 1738 39 1738 74 rr_1aqa 1 1654 'm w 5 14270.0*2e prova 2491' 1739 39 1739 74 rr_1aqa 1 1655 'm w 5 6645.0*2e prova 2556' 1740 39 1740 74 rr_1aqa 1 1656 'm w 5 5275.0*2e prova 2866' 1741 39 1741 74 rr_1aqa 1 1657 'mm 5 34925.0*4e prova 2493' 1742 39 1742 74 rr_1aqa 1 1658 'm w 5M 1584.0*2e prova 2893' 1743 39 1743 74 rr_1aqa 1 1659 '2 19460.0 e prova 944' 1745 39 1745 74 rr_1aqa 1 1660 'i 2 78350.0*2e prova 945' 1746 39 1746 74 rr_1aqa 1 1661 'm w 1 1454.0*2e prova 2888' 1747 39 1747 74 rr_1aqa 1 1662 'm w 5 4823.5*2e prova 2496' 1748 39 1748 74 rr_1aqa 1 1663 'i 2 69200.0*2e prova 947' 1749 39 1749 74 rr_1aqa 1 1664 'i 1 3652.0*2e prova 952' 1750 39 1750 74 rr_1aqa 1 1665 'm 1 5360.0*2e prova 946' 1751 39 1751 74 rr_1aqa 1 1666 '2 4258.0 e prova 2896' 1752 39 1752 74 rr_1aqa 1 1667 '2 10260.0 e prova 2902' 1753 39 1753 74 rr_1aqa 1 1668 '3 3754.0 e prova 2895' 1754 39 1754 74 rr_1aqa 1 1669 'mm 1 30675.0*4e prova 956' 1755 39 1755 74 rr_1aqa 1 1670 'mm 1 27700.0*4e prova 953' 1756 39 1756 74 rr_1aqa 1 1671 'mm 1 19367.5*4e prova 949' 1757 39 1757 74 rr_1aqa 1 1672 '2 4715.0 e prova 2899' 1759 39 1759 74 rr_1aqa 1 1673 'i 2 5245.0*2e prova 2900' 1760 39 1760 74 rr_1aqa 1 1674 'm 2 5650.0*2e prova 2904' 1761 39 1761 74 rr_1aqa 1 1675 'm 2 3604.0*2e prova 2923' 1762 39 1762 74 rr_1aqa 1 1676 '2 13220.0 e prova 961' 1764 39 1764 74 rr_1aqa 1 1677 '2 33640.0 e prova 959' 1765 39 1765 74 rr_1aqa 1 1678 '2 39020.0 e prova 960' 1766 39 1766 74 rr_1aqa 1 1679 'm 1 20180.0*2e prova 962' 1767 39 1767 74 rr_1aqa 1 1680 '2 9060.0 e prova 1599' 1768 39 1768 74 rr_1aqa 1 1681 '2 101300.0 e prova 964' 1769 39 1769 74 rr_1aqa 1 1682 'i 1 11135.0*2e prova 963' 1770 39 1770 74 rr_1aqa 1 1683 'm 1 5685.0*2e prova 965' 1771 39 1771 74 rr_1aqa 1 1684 '2 17200.0 e prova 1601' 1772 39 1772 74 rr_1aqa 1 1685 'm 1 16780.0*2e prova 968' 1773 39 1773 74 rr_1aqa 1 1686 'm 1 23585.0*2e prova 971' 1774 39 1774 74 rr_1aqa 1 1687 'm 1 18170.0*2e prova 966' 1775 39 1775 74 rr_1aqa 1 1688 '2 9775.0 e prova 1603' 1776 39 1776 74 rr_1aqa 1 1689 '2 36770.0 e prova 2497' 1777 39 1777 74 rr_1aqa 1 1690 'mm 1 6167.5*4e prova 967' 1778 39 1778 74 rr_1aqa 1 1691 '2 19300.0 e prova 186' 1780 39 1780 74 rr_1aqa 1 1692 '2 32060.0 e prova 187' 1781 39 1781 74 rr_1aqa 1 1693 'm 1 13330.0*2e prova 189' 1782 39 1782 74 rr_1aqa 1 1694 '1M 45900.0 e prova 188' 1783 39 1783 74 rr_1aqa 1 1695 '2 12060.0 e prova 1605' 1784 39 1784 74 rr_1aqa 1 1696 '2 38530.0 e prova 204 ILE 87' 1785 39 1785 81 rr_1aqa 1 1697 'i 1 35875.0*2e prova 190' 1786 39 1786 74 rr_1aqa 1 1698 '1M 20480.0 e prova 191' 1787 39 1787 74 rr_1aqa 1 1699 '2 23030.0 e prova 1607' 1788 39 1788 74 rr_1aqa 1 1700 'm 1 58200.0*2e prova 196' 1789 39 1789 74 rr_1aqa 1 1701 '1M 7269.0 e prova 200' 1790 39 1790 74 rr_1aqa 1 1702 '2 7160.0 e prova 1609' 1791 39 1791 74 rr_1aqa 1 1703 'm 1M 22085.0*2e prova 197' 1792 39 1792 74 rr_1aqa 1 1704 'm w 5 4220.0*2e prova 2499' 1793 39 1793 74 rr_1aqa 1 1705 '2 17270.0 e prova 205' 1795 39 1795 74 rr_1aqa 1 1706 's 2M 60450.0 e prova 206' 1796 39 1796 74 rr_1aqa 1 1707 's 2M 70110.0 e prova 207' 1797 39 1797 74 rr_1aqa 1 1708 '2 25430.0 e prova 1610' 1798 39 1798 74 rr_1aqa 1 1709 '2M 12060.0 e prova 1613 Sequence' 1799 39 1799 83 rr_1aqa 1 1710 '2 10190.0 e prova 983' 1801 39 1801 74 rr_1aqa 1 1711 'i 2 9880.0*2e prova 984' 1802 39 1802 74 rr_1aqa 1 1712 'm w 1 1536.0*2e prova 989 LYS 89' 1803 39 1803 81 rr_1aqa 1 1713 'i w 1 488.0*2e prova 986' 1804 39 1804 74 rr_1aqa 1 1714 'mm 1 25350.0*4e prova 988' 1805 39 1805 74 rr_1aqa 1 1715 'w 2 1335.2 e only800 3221 NH91,HA91' 1807 39 1807 84 rr_1aqa 1 1716 'i w 2 648.4*2e only800 3222 NH91,QB91' 1808 39 1808 84 rr_1aqa 1 1717 '2 5548.5 e only800 3220 HN92,HA91' 1809 39 1809 84 rr_1aqa 1 1718 'm w 2 730.5*2e only800 3224 NH92,QB91' 1810 39 1810 84 rr_1aqa 1 1719 'w 2 1222.2 e only800 3217 HB192,HN92' 1812 39 1812 85 rr_1aqa 1 1720 '2 1775.4 e only800 3218 HN92,HB292' 1813 39 1813 85 rr_1aqa 1 1721 'm w 1 989.5*2e only800 3216 HN92,QG92' 1814 39 1814 84 rr_1aqa 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) ' .63.FE' (nmrStar names) not linked" rr_1aqa 1 2 2 567 1 "Not handling restraint 567, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 3 2 575 1 "Not handling restraint 575, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 4 2 576 1 "Not handling restraint 576, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 5 2 629 1 "Not handling restraint 629, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 6 2 630 1 "Not handling restraint 630, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 7 2 636 1 "Not handling restraint 636, item 1, resonance(s) ' .63.HV2A' (nmrStar names) not linked" rr_1aqa 1 8 2 637 1 "Not handling restraint 637, item 1, resonance(s) ' .63.HV2T' (nmrStar names) not linked" rr_1aqa 1 9 2 638 1 "Not handling restraint 638, item 1, resonance(s) ' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 10 2 639 1 "Not handling restraint 639, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 11 2 640 1 "Not handling restraint 640, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 12 2 752 1 "Not handling restraint 752, item 1, resonance(s) ' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 13 2 850 1 "Not handling restraint 850, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 14 2 860 1 "Not handling restraint 860, item 1, resonance(s) ' .63.HDM' (nmrStar names) not linked" rr_1aqa 1 15 2 861 1 "Not handling restraint 861, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 16 2 869 1 "Not handling restraint 869, item 1, resonance(s) ' .63.HDM' (nmrStar names) not linked" rr_1aqa 1 17 2 870 1 "Not handling restraint 870, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 18 2 961 1 "Not handling restraint 961, item 1, resonance(s) ' .63.QM5' (nmrStar names) not linked" rr_1aqa 1 19 2 1030 1 "Not handling restraint 1030, item 1, resonance(s) ' .63.HV4C' (nmrStar names) not linked" rr_1aqa 1 20 2 1031 1 "Not handling restraint 1031, item 1, resonance(s) ' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 21 2 1034 1 "Not handling restraint 1034, item 1, resonance(s) ' .63.HV4C' (nmrStar names) not linked" rr_1aqa 1 22 2 1035 1 "Not handling restraint 1035, item 1, resonance(s) ' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 23 2 1036 1 "Not handling restraint 1036, item 1, resonance(s) ' .63.QM5' (nmrStar names) not linked" rr_1aqa 1 24 2 1042 1 "Not handling restraint 1042, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 25 2 1043 1 "Not handling restraint 1043, item 1, resonance(s) ' .63.HV4A' (nmrStar names) not linked" rr_1aqa 1 26 2 1044 1 "Not handling restraint 1044, item 1, resonance(s) ' .63.HV4C' (nmrStar names) not linked" rr_1aqa 1 27 2 1045 1 "Not handling restraint 1045, item 1, resonance(s) ' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 28 2 1046 1 "Not handling restraint 1046, item 1, resonance(s) ' .63.QM5' (nmrStar names) not linked" rr_1aqa 1 29 2 1065 1 "Not handling restraint 1065, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 30 2 1077 1 "Not handling restraint 1077, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 31 2 1078 1 "Not handling restraint 1078, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 32 2 1079 1 "Not handling restraint 1079, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 33 2 1119 1 "Not handling restraint 1119, item 1, resonance(s) ' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 34 2 1119 1 "Not handling restraint 1119, item 1, resonance(s) ' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 35 2 1162 1 "Not handling restraint 1162, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 36 2 1242 1 "Not handling restraint 1242, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 37 2 1242 1 "Not handling restraint 1242, item 1, resonance(s) ' .63.QM3' (nmrStar names) not linked" rr_1aqa 1 38 2 1289 1 "Not handling restraint 1289, item 1, resonance(s) ' .63.HV4A' (nmrStar names) not linked" rr_1aqa 1 39 2 1290 1 "Not handling restraint 1290, item 1, resonance(s) ' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 40 2 1291 1 "Not handling restraint 1291, item 1, resonance(s) ' .63.QM5' (nmrStar names) not linked" rr_1aqa 1 41 2 1294 1 "Not handling restraint 1294, item 1, resonance(s) ' .63.HV4C' (nmrStar names) not linked" rr_1aqa 1 42 2 1295 1 "Not handling restraint 1295, item 1, resonance(s) ' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 43 2 1296 1 "Not handling restraint 1296, item 1, resonance(s) ' .63.QM5' (nmrStar names) not linked" rr_1aqa 1 44 2 1297 1 "Not handling restraint 1297, item 1, resonance(s) ' .63.HGM' (nmrStar names) not linked" rr_1aqa 1 45 2 1298 1 "Not handling restraint 1298, item 1, resonance(s) ' .63.QAP6' (nmrStar names) not linked" rr_1aqa 1 46 2 1316 1 "Not handling restraint 1316, item 1, resonance(s) ' .63.HAP71' (nmrStar names),' .63.HAP72' (nmrStar names) not linked" rr_1aqa 1 47 2 1317 1 "Not handling restraint 1317, item 1, resonance(s) ' .63.HAP71' (nmrStar names),' .63.HBP73' (nmrStar names) not linked" rr_1aqa 1 48 2 1318 1 "Not handling restraint 1318, item 1, resonance(s) ' .63.HAP71' (nmrStar names),' .63.HBP74' (nmrStar names) not linked" rr_1aqa 1 49 2 1319 1 "Not handling restraint 1319, item 1, resonance(s) ' .63.HAP71' (nmrStar names),' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 50 2 1320 1 "Not handling restraint 1320, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HAP71' (nmrStar names) not linked" rr_1aqa 1 51 2 1321 1 "Not handling restraint 1321, item 1, resonance(s) ' .63.HAP72' (nmrStar names),' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 52 2 1322 1 "Not handling restraint 1322, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HAP72' (nmrStar names) not linked" rr_1aqa 1 53 2 1323 1 "Not handling restraint 1323, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HBP73' (nmrStar names) not linked" rr_1aqa 1 54 2 1324 1 "Not handling restraint 1324, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HBP74' (nmrStar names) not linked" rr_1aqa 1 55 2 1325 1 "Not handling restraint 1325, item 1, resonance(s) ' .63.HDM' (nmrStar names),' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 56 2 1326 1 "Not handling restraint 1326, item 1, resonance(s) ' .63.QM1' (nmrStar names),' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 57 2 1327 1 "Not handling restraint 1327, item 1, resonance(s) ' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 58 2 1328 1 "Not handling restraint 1328, item 1, resonance(s) ' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 59 2 1329 1 "Not handling restraint 1329, item 1, resonance(s) ' .63.QM8' (nmrStar names) not linked" rr_1aqa 1 60 2 1330 1 "Not handling restraint 1330, item 1, resonance(s) ' .63.QM1' (nmrStar names),' .63.HDM' (nmrStar names) not linked" rr_1aqa 1 61 2 1331 1 "Not handling restraint 1331, item 1, resonance(s) ' .63.HDM' (nmrStar names) not linked" rr_1aqa 1 62 2 1332 1 "Not handling restraint 1332, item 1, resonance(s) ' .63.HDM' (nmrStar names) not linked" rr_1aqa 1 63 2 1333 1 "Not handling restraint 1333, item 1, resonance(s) ' .63.HV2A' (nmrStar names),' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 64 2 1334 1 "Not handling restraint 1334, item 1, resonance(s) ' .63.HV2T' (nmrStar names),' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 65 2 1335 1 "Not handling restraint 1335, item 1, resonance(s) ' .63.HV2C' (nmrStar names),' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 66 2 1336 1 "Not handling restraint 1336, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 67 2 1337 1 "Not handling restraint 1337, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 68 2 1338 1 "Not handling restraint 1338, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 69 2 1339 1 "Not handling restraint 1339, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 70 2 1340 1 "Not handling restraint 1340, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 71 2 1341 1 "Not handling restraint 1341, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 72 2 1342 1 "Not handling restraint 1342, item 1, resonance(s) ' .63.QM1' (nmrStar names) not linked" rr_1aqa 1 73 2 1343 1 "Not handling restraint 1343, item 1, resonance(s) ' .63.HV2A' (nmrStar names),' .63.HV2T' (nmrStar names) not linked" rr_1aqa 1 74 2 1344 1 "Not handling restraint 1344, item 1, resonance(s) ' .63.HAM' (nmrStar names),' .63.HV2A' (nmrStar names) not linked" rr_1aqa 1 75 2 1345 1 "Not handling restraint 1345, item 1, resonance(s) ' .63.HV2A' (nmrStar names) not linked" rr_1aqa 1 76 2 1346 1 "Not handling restraint 1346, item 1, resonance(s) ' .63.HV2A' (nmrStar names) not linked" rr_1aqa 1 77 2 1347 1 "Not handling restraint 1347, item 1, resonance(s) ' .63.HV2T' (nmrStar names),' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 78 2 1348 1 "Not handling restraint 1348, item 1, resonance(s) ' .63.HAM' (nmrStar names),' .63.HV2T' (nmrStar names) not linked" rr_1aqa 1 79 2 1349 1 "Not handling restraint 1349, item 1, resonance(s) ' .63.QM3' (nmrStar names),' .63.HV2T' (nmrStar names) not linked" rr_1aqa 1 80 2 1350 1 "Not handling restraint 1350, item 1, resonance(s) ' .63.HV2T' (nmrStar names) not linked" rr_1aqa 1 81 2 1351 1 "Not handling restraint 1351, item 1, resonance(s) ' .63.HAM' (nmrStar names),' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 82 2 1352 1 "Not handling restraint 1352, item 1, resonance(s) ' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 83 2 1353 1 "Not handling restraint 1353, item 1, resonance(s) ' .63.HV2C' (nmrStar names) not linked" rr_1aqa 1 84 2 1354 1 "Not handling restraint 1354, item 1, resonance(s) ' .63.QM3' (nmrStar names),' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 85 2 1355 1 "Not handling restraint 1355, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 86 2 1356 1 "Not handling restraint 1356, item 1, resonance(s) ' .63.HAM' (nmrStar names) not linked" rr_1aqa 1 87 2 1357 1 "Not handling restraint 1357, item 1, resonance(s) ' .63.QM3' (nmrStar names),' .63.HV4A' (nmrStar names) not linked" rr_1aqa 1 88 2 1358 1 "Not handling restraint 1358, item 1, resonance(s) ' .63.QM3' (nmrStar names),' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 89 2 1359 1 "Not handling restraint 1359, item 1, resonance(s) ' .63.QM3' (nmrStar names),' .63.HV4C' (nmrStar names) not linked" rr_1aqa 1 90 2 1360 1 "Not handling restraint 1360, item 1, resonance(s) ' .63.HV4A' (nmrStar names),' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 91 2 1361 1 "Not handling restraint 1361, item 1, resonance(s) ' .63.HBM' (nmrStar names),' .63.HV4A' (nmrStar names) not linked" rr_1aqa 1 92 2 1362 1 "Not handling restraint 1362, item 1, resonance(s) ' .63.QM5' (nmrStar names),' .63.HV4A' (nmrStar names) not linked" rr_1aqa 1 93 2 1363 1 "Not handling restraint 1363, item 1, resonance(s) ' .63.HV4C' (nmrStar names),' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 94 2 1364 1 "Not handling restraint 1364, item 1, resonance(s) ' .63.HBM' (nmrStar names),' .63.HV4T' (nmrStar names) not linked" rr_1aqa 1 95 2 1365 1 "Not handling restraint 1365, item 1, resonance(s) ' .63.HV4C' (nmrStar names),' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 96 2 1366 1 "Not handling restraint 1366, item 1, resonance(s) ' .63.QM5' (nmrStar names),' .63.HBM' (nmrStar names) not linked" rr_1aqa 1 97 2 1367 1 "Not handling restraint 1367, item 1, resonance(s) ' .63.QM5' (nmrStar names),' .63.HAP61' (nmrStar names) not linked" rr_1aqa 1 98 2 1368 1 "Not handling restraint 1368, item 1, resonance(s) ' .63.QM5' (nmrStar names),' .63.HAP62' (nmrStar names) not linked" rr_1aqa 1 99 2 1369 1 "Not handling restraint 1369, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HAP61' (nmrStar names) not linked" rr_1aqa 1 100 2 1370 1 "Not handling restraint 1370, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.HAP62' (nmrStar names) not linked" rr_1aqa 1 101 2 1371 1 "Not handling restraint 1371, item 1, resonance(s) ' .63.HGM' (nmrStar names),' .63.QAP6' (nmrStar names) not linked" rr_1aqa 1 102 2 1372 1 "Not handling restraint 1372, item 1, resonance(s) ' .63.HAP61' (nmrStar names),' .63.HAP62' (nmrStar names) not linked" rr_1aqa 1 103 2 1373 1 "Not handling restraint 1373, item 1, resonance(s) ' .63.QAP6' (nmrStar names),' .63.HAP62' (nmrStar names) not linked" rr_1aqa 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1aqa _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER ELECTRON TRANSPORT 28-JUL-97 1AQA *TITLE SOLUTION STRUCTURE OF REDUCED MICROSOMAL RAT CYTOCHROME B5, *TITLE 2 NMR, MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CYTOCHROME B5; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: SOLUBLE DOMAIN; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; *SOURCE 3 STRAIN: NM522; *SOURCE 4 CELLULAR_LOCATION: CYTOPLASM; *SOURCE 5 PLASMID: PUC13; *SOURCE 6 GENE: SYNRATCYB5; *SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: NM522; *SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; *SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PUC 13; *SOURCE 12 EXPRESSION_SYSTEM_GENE: SYNRATCYB5; *SOURCE 13 OTHER_DETAILS: CLONING VECTOR PUC13 *KEYWDS CYTOCHROME B5, PROTEIN RECOGNITION, SOLUTION STRUCTURES, *KEYWDS 2 SECONDARY STRUCTURES, ELECTRON TRANSPORT *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR L.BANCI,I.BERTINI,F.FERRONI,A.ROSATO *REVDAT 1 17-SEP-97 1AQA 0' save_