data_Remediated_restraints_file_for_PDB_entry_2dx2 # This BMRB archive file contains, for PDB entry 2dx2: # # - 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_2dx2 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 2dx2' _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 2dx2' _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 2dx2 'Master copy' rr_2dx2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2dx2 _Assembly.ID 1 _Assembly.Name 2dx2 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 1244.4351 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 'Target Peptide' 1 $Target_Peptide A . no . . . . . . rr_2dx2 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Target_Peptide _Entity.Sf_category entity _Entity.Sf_framecode Target_Peptide _Entity.Entry_ID rr_2dx2 _Entity.ID 1 _Entity.Name Target_Peptide _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code INYWLAHAKAG _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 11 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1244.4351 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 . ILE . rr_2dx2 1 2 . ASN . rr_2dx2 1 3 . TYR . rr_2dx2 1 4 . TRP . rr_2dx2 1 5 . LEU . rr_2dx2 1 6 . ALA . rr_2dx2 1 7 . HIS . rr_2dx2 1 8 . ALA . rr_2dx2 1 9 . LYS . rr_2dx2 1 10 . ALA . rr_2dx2 1 11 . GLY . rr_2dx2 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 . ILE 1 1 rr_2dx2 1 . ASN 2 2 rr_2dx2 1 . TYR 3 3 rr_2dx2 1 . TRP 4 4 rr_2dx2 1 . LEU 5 5 rr_2dx2 1 . ALA 6 6 rr_2dx2 1 . HIS 7 7 rr_2dx2 1 . ALA 8 8 rr_2dx2 1 . LYS 9 9 rr_2dx2 1 . ALA 10 10 rr_2dx2 1 . GLY 11 11 rr_2dx2 1 stop_ 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_2dx2 _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 10 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_2dx2 _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_2dx2 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_2dx2 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 1 ILE C C 0.839 -7.247 -2.128 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 1 . 2 . 1 1 1 ILE CA C 2.156 -7.973 -2.410 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 1 . 3 . 1 1 1 ILE CB C 3.386 -7.258 -1.846 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 1 . 4 . 1 1 1 ILE CD1 C 2.886 -4.918 -2.642 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 1 . 5 . 1 1 1 ILE CG1 C 3.827 -6.118 -2.766 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 1 . 6 . 1 1 1 ILE CG2 C 4.520 -8.249 -1.576 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 1 . 7 . 1 1 1 ILE H1 H 3.213 -8.437 -4.144 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 1 . 8 . 1 1 1 ILE HA H 2.115 -8.958 -1.944 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 1 . 9 . 1 1 1 ILE HB H 3.113 -6.813 -0.890 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 1 . 10 . 1 1 1 ILE HD11 H 2.773 -4.653 -1.591 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 1 . 11 . 1 1 1 ILE HD12 H 3.304 -4.072 -3.188 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 1 . 12 . 1 1 1 ILE HD13 H 1.913 -5.175 -3.060 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 1 . 13 . 1 1 1 ILE HG12 H 4.844 -5.816 -2.514 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 1 . 14 . 1 1 1 ILE HG13 H 3.845 -6.466 -3.799 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 1 . 15 . 1 1 1 ILE HG21 H 4.534 -9.007 -2.358 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 1 . 16 . 1 1 1 ILE HG22 H 5.472 -7.718 -1.567 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 1 . 17 . 1 1 1 ILE HG23 H 4.363 -8.727 -0.609 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 1 . 18 . 1 1 1 ILE N N 2.297 -8.174 -3.842 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 1 . 19 . 1 1 1 ILE O O 0.262 -6.631 -3.022 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 1 . 20 . 1 1 2 ASN C C -0.520 -5.581 0.519 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 1 . 21 . 1 1 2 ASN CA C -0.836 -6.705 -0.470 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 1 . 22 . 1 1 2 ASN CB C -1.765 -7.700 0.227 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 1 . 23 . 1 1 2 ASN CG C -3.214 -7.505 -0.223 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 1 . 24 . 1 1 2 ASN H H 0.878 -7.848 -0.159 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 1 . 25 . 1 1 2 ASN HA H -1.287 -6.336 -1.391 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 1 . 26 . 1 1 2 ASN HB2 H -1.445 -8.718 0.006 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 1 . 27 . 1 1 2 ASN HB3 H -1.696 -7.573 1.308 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 1 . 28 . 1 1 2 ASN HD21 H -3.106 -5.588 0.416 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 1 . 29 . 1 1 2 ASN HD22 H -4.627 -6.056 -0.268 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 1 . 30 . 1 1 2 ASN N N 0.402 -7.344 -0.881 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 1 . 31 . 1 1 2 ASN ND2 N -3.688 -6.282 -0.008 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 1 . 32 . 1 1 2 ASN O O -1.378 -4.751 0.816 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 1 . 33 . 1 1 2 ASN OD1 O -3.859 -8.407 -0.733 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 1 . 34 . 1 1 3 TYR C C 1.056 -3.179 1.346 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 1 . 35 . 1 1 3 TYR CA C 1.153 -4.581 1.951 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 1 . 36 . 1 1 3 TYR CB C 2.621 -4.894 2.249 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 1 . 37 . 1 1 3 TYR CD1 C 3.289 -3.348 4.126 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 1 . 38 . 1 1 3 TYR CD2 C 4.247 -2.988 1.966 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 1 . 39 . 1 1 3 TYR CE1 C 4.033 -2.229 4.643 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 1 . 40 . 1 1 3 TYR CE2 C 4.991 -1.868 2.483 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 1 . 41 . 1 1 3 TYR CG C 3.412 -3.704 2.798 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 1 . 42 . 1 1 3 TYR CZ C 4.847 -1.544 3.797 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 1 . 43 . 1 1 3 TYR H H 1.406 -6.268 0.755 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 1 . 44 . 1 1 3 TYR HA H 0.506 -4.637 2.826 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 1 . 45 . 1 1 3 TYR HB2 H 2.669 -5.712 2.967 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 1 . 46 . 1 1 3 TYR HB3 H 3.100 -5.244 1.334 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 1 . 47 . 1 1 3 TYR HD1 H 2.628 -3.915 4.783 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 1 . 48 . 1 1 3 TYR HD2 H 4.344 -3.269 0.918 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 1 . 49 . 1 1 3 TYR HE1 H 3.945 -1.937 5.690 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 1 . 50 . 1 1 3 TYR HE2 H 5.655 -1.294 1.837 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 1 . 51 . 1 1 3 TYR HH H 5.525 -0.493 5.285 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 1 . 52 . 1 1 3 TYR N N 0.714 -5.589 1.002 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 1 . 53 . 1 1 3 TYR O O 1.037 -2.186 2.071 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 1 . 54 . 1 1 3 TYR OH O 5.550 -0.487 4.285 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 1 . 55 . 1 1 4 TRP C C -0.307 -1.118 -0.138 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 1 . 56 . 1 1 4 TRP CA C 0.900 -1.879 -0.688 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 1 . 57 . 1 1 4 TRP CB C 0.827 -2.104 -2.199 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 1 . 58 . 1 1 4 TRP CD1 C 1.673 -0.426 -3.968 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 1 . 59 . 1 1 4 TRP CD2 C 3.309 -1.414 -2.848 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 1 . 60 . 1 1 4 TRP CE2 C 3.891 -0.551 -3.753 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 1 . 61 . 1 1 4 TRP CE3 C 4.087 -2.199 -1.979 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 1 . 62 . 1 1 4 TRP CG C 1.876 -1.326 -2.996 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 1 . 63 . 1 1 4 TRP CH2 C 6.071 -1.160 -3.020 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 1 . 64 . 1 1 4 TRP CZ2 C 5.276 -0.389 -3.876 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 1 . 65 . 1 1 4 TRP CZ3 C 5.469 -2.026 -2.114 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 1 . 66 . 1 1 4 TRP H H 1.012 -3.955 -0.560 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 1 . 67 . 1 1 4 TRP HA H 1.814 -1.318 -0.494 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 1 . 68 . 1 1 4 TRP HB2 H 0.947 -3.168 -2.404 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 1 . 69 . 1 1 4 TRP HB3 H -0.165 -1.822 -2.551 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 1 . 70 . 1 1 4 TRP HD1 H 0.689 -0.123 -4.328 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 1 . 71 . 1 1 4 TRP HE1 H 2.980 0.811 -5.246 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 1 . 72 . 1 1 4 TRP HE3 H 3.651 -2.888 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 1 . 73 . 1 1 4 TRP HH2 H 7.158 -1.082 -3.063 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 1 . 74 . 1 1 4 TRP HZ2 H 5.712 0.301 -4.599 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 1 . 75 . 1 1 4 TRP HZ3 H 6.119 -2.610 -1.463 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 1 . 76 . 1 1 4 TRP N N 0.996 -3.143 0.023 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 1 . 77 . 1 1 4 TRP NE1 N 2.865 0.070 -4.456 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 1 . 78 . 1 1 4 TRP O O -0.333 0.112 -0.161 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 1 . 79 . 1 1 5 LEU C C -2.114 -0.393 2.079 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 1 . 80 . 1 1 5 LEU CA C -2.485 -1.292 0.899 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 1 . 81 . 1 1 5 LEU CB C -3.499 -2.383 1.252 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 1 . 82 . 1 1 5 LEU CD1 C -4.707 -2.329 -0.961 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 1 . 83 . 1 1 5 LEU CD2 C -5.816 -3.362 1.073 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 1 . 84 . 1 1 5 LEU CG C -4.860 -2.283 0.561 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 1 . 85 . 1 1 5 LEU H H -1.249 -2.879 0.359 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 1 . 86 . 1 1 5 LEU HA H -2.935 -0.674 0.122 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 1 . 87 . 1 1 5 LEU HB2 H -3.060 -3.351 1.010 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 1 . 88 . 1 1 5 LEU HB3 H -3.659 -2.366 2.330 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 1 . 89 . 1 1 5 LEU HD11 H -4.091 -1.491 -1.290 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 1 . 90 . 1 1 5 LEU HD12 H -4.230 -3.266 -1.250 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 1 . 91 . 1 1 5 LEU HD13 H -5.690 -2.263 -1.427 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 1 . 92 . 1 1 5 LEU HD21 H -6.252 -3.041 2.019 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 1 . 93 . 1 1 5 LEU HD22 H -6.609 -3.522 0.343 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 1 . 94 . 1 1 5 LEU HD23 H -5.267 -4.292 1.224 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 1 . 95 . 1 1 5 LEU HG H -5.300 -1.318 0.811 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 1 . 96 . 1 1 5 LEU N N -1.278 -1.880 0.344 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 1 . 97 . 1 1 5 LEU O O -2.904 0.454 2.492 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 1 . 98 . 1 1 6 ALA C C 0.095 1.521 3.208 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 1 . 99 . 1 1 6 ALA CA C -0.423 0.174 3.714 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 1 . 100 . 1 1 6 ALA CB C 0.650 -0.621 4.461 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 1 . 101 . 1 1 6 ALA H H -0.273 -1.298 2.248 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 1 . 102 . 1 1 6 ALA HA H -1.264 0.347 4.386 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 1 . 103 . 1 1 6 ALA HB1 H 1.468 -0.856 3.781 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 1 . 104 . 1 1 6 ALA HB2 H 1.028 -0.026 5.293 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 1 . 105 . 1 1 6 ALA HB3 H 0.217 -1.545 4.843 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 1 . 106 . 1 1 6 ALA N N -0.910 -0.607 2.589 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 1 . 107 . 1 1 6 ALA O O 0.296 2.447 3.992 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 1 . 108 . 1 1 7 HIS C C -0.095 3.166 0.084 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 1 . 109 . 1 1 7 HIS CA C 0.789 2.806 1.280 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 1 . 110 . 1 1 7 HIS CB C 2.266 2.667 0.905 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 1 . 111 . 1 1 7 HIS CD2 C 3.813 1.359 2.556 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 1 . 112 . 1 1 7 HIS CE1 C 4.350 3.026 3.867 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 1 . 113 . 1 1 7 HIS CG C 3.185 2.475 2.088 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 1 . 114 . 1 1 7 HIS H H 0.132 0.830 1.269 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 1 . 115 . 1 1 7 HIS HA H 0.709 3.593 2.030 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 1 . 116 . 1 1 7 HIS HB2 H 2.381 1.821 0.228 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 1 . 117 . 1 1 7 HIS HB3 H 2.577 3.558 0.358 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 1 . 118 . 1 1 7 HIS HD1 H 3.241 4.460 2.858 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 1 . 119 . 1 1 7 HIS HD2 H 3.748 0.361 2.121 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 1 . 120 . 1 1 7 HIS HE1 H 4.802 3.593 4.681 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 1 . 121 . 1 1 7 HIS HE2 H 5.033 1.060 4.208 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 1 . 122 . 1 1 7 HIS N N 0.298 1.588 1.900 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 1 . 123 . 1 1 7 HIS ND1 N 3.542 3.509 2.936 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 1 . 124 . 1 1 7 HIS NE2 N 4.518 1.693 3.630 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 1 . 125 . 1 1 7 HIS O O 0.296 3.969 -0.762 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 1 . 126 . 1 1 8 ALA C C -2.222 4.294 -1.359 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 1 . 127 . 1 1 8 ALA CA C -2.212 2.800 -1.026 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 1 . 128 . 1 1 8 ALA CB C -3.595 2.283 -0.624 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 1 . 129 . 1 1 8 ALA H H -1.580 1.903 0.744 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 1 . 130 . 1 1 8 ALA HA H -1.870 2.244 -1.899 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 1 . 131 . 1 1 8 ALA HB1 H -4.289 3.120 -0.553 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 1 . 132 . 1 1 8 ALA HB2 H -3.951 1.577 -1.374 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 1 . 133 . 1 1 8 ALA HB3 H -3.528 1.784 0.343 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 1 . 134 . 1 1 8 ALA N N -1.269 2.554 0.052 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 1 . 135 . 1 1 8 ALA O O -1.614 4.719 -2.340 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 1 . 136 . 1 1 9 LYS C C -1.669 7.023 -1.203 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 1 . 137 . 1 1 9 LYS CA C -3.016 6.485 -0.716 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 1 . 138 . 1 1 9 LYS CB C -3.524 7.164 0.558 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 1 . 139 . 1 1 9 LYS CD C -5.451 8.781 0.746 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 1 . 140 . 1 1 9 LYS CE C -6.853 9.050 0.197 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 1 . 141 . 1 1 9 LYS CG C -5.046 7.322 0.526 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 1 . 142 . 1 1 9 LYS H H -3.411 4.695 0.273 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 1 . 143 . 1 1 9 LYS HA H -3.760 6.661 -1.493 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 1 . 144 . 1 1 9 LYS HB2 H -3.235 6.576 1.429 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 1 . 145 . 1 1 9 LYS HB3 H -3.056 8.142 0.665 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 1 . 146 . 1 1 9 LYS HD2 H -5.423 9.013 1.811 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 1 . 147 . 1 1 9 LYS HD3 H -4.732 9.439 0.258 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 1 . 148 . 1 1 9 LYS HE2 H -7.265 8.135 -0.228 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 1 . 149 . 1 1 9 LYS HE3 H -7.516 9.352 1.007 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 1 . 150 . 1 1 9 LYS HG2 H -5.431 6.975 -0.433 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 1 . 151 . 1 1 9 LYS HG3 H -5.497 6.695 1.296 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 1 . 152 . 1 1 9 LYS HZ1 H -7.350 9.823 -1.629 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 1 . 153 . 1 1 9 LYS HZ2 H -7.189 10.955 -0.463 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 1 . 154 . 1 1 9 LYS HZ3 H -5.863 10.262 -1.118 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 1 . 155 . 1 1 9 LYS N N -2.919 5.049 -0.523 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 1 . 156 . 1 1 9 LYS NZ N -6.810 10.108 -0.837 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 1 . 157 . 1 1 9 LYS O O -1.615 7.803 -2.152 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 1 . 158 . 1 1 10 ALA C C 0.866 7.039 -2.408 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 1 . 159 . 1 1 10 ALA CA C 0.728 7.010 -0.884 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 1 . 160 . 1 1 10 ALA CB C 1.749 6.081 -0.224 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 1 . 161 . 1 1 10 ALA H H -0.668 5.949 0.240 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 1 . 162 . 1 1 10 ALA HA H 0.869 8.019 -0.495 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 1 . 163 . 1 1 10 ALA HB1 H 1.253 5.479 0.537 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 1 . 164 . 1 1 10 ALA HB2 H 2.185 5.426 -0.979 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 1 . 165 . 1 1 10 ALA HB3 H 2.536 6.676 0.238 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 1 . 166 . 1 1 10 ALA N N -0.615 6.583 -0.531 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 1 . 167 . 1 1 10 ALA O O 0.709 6.014 -3.068 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 1 . 168 . 1 1 11 GLY C C 1.421 9.885 -4.716 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 1 . 169 . 1 1 11 GLY CA C 1.318 8.402 -4.354 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 1 . 170 . 1 1 11 GLY H H 1.283 9.055 -2.376 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 1 . 171 . 1 1 11 GLY HA2 H 2.213 7.878 -4.691 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 1 . 172 . 1 1 11 GLY HA3 H 0.472 7.955 -4.876 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 1 . 173 . 1 1 11 GLY N N 1.157 8.226 -2.921 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 1 . 174 . 1 1 11 GLY O O 0.502 10.449 -5.306 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 2 . 175 . 1 1 1 ILE C C 0.663 -7.192 -1.839 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 2 . 176 . 1 1 1 ILE CA C 1.969 -7.965 -2.031 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 2 . 177 . 1 1 1 ILE CB C 3.223 -7.130 -1.760 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 2 . 178 . 1 1 1 ILE CD1 C 3.510 -4.749 -2.541 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 2 . 179 . 1 1 1 ILE CG1 C 3.545 -6.223 -2.950 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 2 . 180 . 1 1 1 ILE CG2 C 4.406 -8.024 -1.384 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 2 . 181 . 1 1 1 ILE H1 H 1.265 -9.153 -3.591 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 2 . 182 . 1 1 1 ILE HA H 1.982 -8.801 -1.333 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 2 . 183 . 1 1 1 ILE HB H 3.024 -6.483 -0.906 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 2 . 184 . 1 1 1 ILE HD11 H 2.553 -4.526 -2.070 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 2 . 185 . 1 1 1 ILE HD12 H 4.318 -4.548 -1.837 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 2 . 186 . 1 1 1 ILE HD13 H 3.635 -4.124 -3.425 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 2 . 187 . 1 1 1 ILE HG12 H 4.530 -6.471 -3.344 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 2 . 188 . 1 1 1 ILE HG13 H 2.827 -6.399 -3.751 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 2 . 189 . 1 1 1 ILE HG21 H 4.212 -8.496 -0.421 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 2 . 190 . 1 1 1 ILE HG22 H 4.538 -8.792 -2.146 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 2 . 191 . 1 1 1 ILE HG23 H 5.311 -7.420 -1.317 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 2 . 192 . 1 1 1 ILE N N 2.007 -8.518 -3.374 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 2 . 193 . 1 1 1 ILE O O 0.134 -6.615 -2.788 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 2 . 194 . 1 1 2 ASN C C -0.745 -5.345 0.658 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 2 . 195 . 1 1 2 ASN CA C -1.055 -6.515 -0.277 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 2 . 196 . 1 1 2 ASN CB C -2.035 -7.446 0.439 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 2 . 197 . 1 1 2 ASN CG C -3.461 -7.242 -0.075 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 2 . 198 . 1 1 2 ASN H H 0.616 -7.679 0.160 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 2 . 199 . 1 1 2 ASN HA H -1.463 -6.187 -1.234 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 2 . 200 . 1 1 2 ASN HB2 H -1.735 -8.483 0.285 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 2 . 201 . 1 1 2 ASN HB3 H -2.001 -7.260 1.512 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 2 . 202 . 1 1 2 ASN HD21 H -3.138 -5.243 -0.038 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 2 . 203 . 1 1 2 ASN HD22 H -4.710 -5.729 -0.577 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 2 . 204 . 1 1 2 ASN N N 0.180 -7.207 -0.606 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 2 . 205 . 1 1 2 ASN ND2 N -3.798 -5.966 -0.244 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 2 . 206 . 1 1 2 ASN O O -1.591 -4.478 0.875 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 2 . 207 . 1 1 2 ASN OD1 O -4.207 -8.180 -0.304 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 2 . 208 . 1 1 3 TYR C C 0.873 -2.942 1.407 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 2 . 209 . 1 1 3 TYR CA C 0.900 -4.308 2.096 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 2 . 210 . 1 1 3 TYR CB C 2.344 -4.646 2.475 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 2 . 211 . 1 1 3 TYR CD1 C 3.065 -3.139 4.364 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 2 . 212 . 1 1 3 TYR CD2 C 3.926 -2.706 2.176 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 2 . 213 . 1 1 3 TYR CE1 C 3.812 -2.021 4.879 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 2 . 214 . 1 1 3 TYR CE2 C 4.673 -1.588 2.692 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 2 . 215 . 1 1 3 TYR CG C 3.137 -3.458 3.023 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 2 . 216 . 1 1 3 TYR CZ C 4.579 -1.301 4.018 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 2 . 217 . 1 1 3 TYR H H 1.151 -6.066 1.007 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 2 . 218 . 1 1 3 TYR HA H 0.215 -4.293 2.943 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 2 . 219 . 1 1 3 TYR HB2 H 2.336 -5.440 3.222 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 2 . 220 . 1 1 3 TYR HB3 H 2.857 -5.039 1.598 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 2 . 221 . 1 1 3 TYR HD1 H 2.442 -3.733 5.032 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 2 . 222 . 1 1 3 TYR HD2 H 3.983 -2.958 1.117 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 2 . 223 . 1 1 3 TYR HE1 H 3.763 -1.758 5.936 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 2 . 224 . 1 1 3 TYR HE2 H 5.300 -0.986 2.034 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 2 . 225 . 1 1 3 TYR HH H 6.071 -0.572 5.029 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 2 . 226 . 1 1 3 TYR N N 0.469 -5.358 1.188 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 2 . 227 . 1 1 3 TYR O O 0.802 -1.909 2.072 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 2 . 228 . 1 1 3 TYR OH O 5.285 -0.245 4.504 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 2 . 229 . 1 1 4 TRP C C -0.289 -0.926 -0.255 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 2 . 230 . 1 1 4 TRP CA C 0.914 -1.759 -0.702 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 2 . 231 . 1 1 4 TRP CB C 0.902 -2.070 -2.199 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 2 . 232 . 1 1 4 TRP CD1 C 1.844 -0.510 -4.027 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 2 . 233 . 1 1 4 TRP CD2 C 3.417 -1.439 -2.775 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 2 . 234 . 1 1 4 TRP CE2 C 4.049 -0.637 -3.703 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 2 . 235 . 1 1 4 TRP CE3 C 4.147 -2.174 -1.824 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 2 . 236 . 1 1 4 TRP CG C 1.994 -1.349 -2.993 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 2 . 237 . 1 1 4 TRP CH2 C 6.188 -1.215 -2.835 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 2 . 238 . 1 1 4 TRP CZ2 C 5.440 -0.493 -3.772 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 2 . 239 . 1 1 4 TRP CZ3 C 5.536 -2.019 -1.906 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 2 . 240 . 1 1 4 TRP H H 0.989 -3.825 -0.449 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 2 . 241 . 1 1 4 TRP HA H 1.838 -1.218 -0.497 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 2 . 242 . 1 1 4 TRP HB2 H 1.017 -3.145 -2.338 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 2 . 243 . 1 1 4 TRP HB3 H -0.070 -1.798 -2.609 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 2 . 244 . 1 1 4 TRP HD1 H 0.881 -0.223 -4.450 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 2 . 245 . 1 1 4 TRP HE1 H 3.220 0.637 -5.317 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 2 . 246 . 1 1 4 TRP HE3 H 3.672 -2.814 -1.081 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 2 . 247 . 1 1 4 TRP HH2 H 7.275 -1.148 -2.833 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 2 . 248 . 1 1 4 TRP HZ2 H 5.915 0.148 -4.515 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 2 . 249 . 1 1 4 TRP HZ3 H 6.150 -2.567 -1.192 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 2 . 250 . 1 1 4 TRP N N 0.931 -2.981 0.084 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 2 . 251 . 1 1 4 TRP NE1 N 3.062 -0.054 -4.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 2 . 252 . 1 1 4 TRP O O -0.248 0.302 -0.294 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 2 . 253 . 1 1 5 LEU C C -2.205 -0.015 1.759 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 2 . 254 . 1 1 5 LEU CA C -2.546 -0.970 0.614 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 2 . 255 . 1 1 5 LEU CB C -3.615 -2.004 0.974 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 2 . 256 . 1 1 5 LEU CD1 C -4.762 -2.023 -1.272 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 2 . 257 . 1 1 5 LEU CD2 C -5.980 -2.860 0.790 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 2 . 258 . 1 1 5 LEU CG C -4.951 -1.871 0.239 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 2 . 259 . 1 1 5 LEU H H -1.359 -2.628 0.189 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 2 . 260 . 1 1 5 LEU HA H -2.932 -0.385 -0.221 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 2 . 261 . 1 1 5 LEU HB2 H -3.212 -2.997 0.777 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 2 . 262 . 1 1 5 LEU HB3 H -3.805 -1.943 2.045 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 2 . 263 . 1 1 5 LEU HD11 H -4.755 -3.081 -1.533 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 2 . 264 . 1 1 5 LEU HD12 H -5.581 -1.526 -1.792 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 2 . 265 . 1 1 5 LEU HD13 H -3.816 -1.569 -1.568 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 2 . 266 . 1 1 5 LEU HD21 H -6.483 -2.419 1.650 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 2 . 267 . 1 1 5 LEU HD22 H -6.715 -3.088 0.017 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 2 . 268 . 1 1 5 LEU HD23 H -5.476 -3.777 1.094 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 2 . 269 . 1 1 5 LEU HG H -5.340 -0.869 0.416 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 2 . 270 . 1 1 5 LEU N N -1.333 -1.629 0.160 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 2 . 271 . 1 1 5 LEU O O -2.977 0.891 2.069 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 2 . 272 . 1 1 6 ALA C C -0.003 1.878 2.911 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 2 . 273 . 1 1 6 ALA CA C -0.593 0.579 3.462 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 2 . 274 . 1 1 6 ALA CB C 0.412 -0.205 4.309 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 2 . 275 . 1 1 6 ALA H H -0.423 -0.988 2.100 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 2 . 276 . 1 1 6 ALA HA H -1.461 0.815 4.078 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 2 . 277 . 1 1 6 ALA HB1 H 1.348 -0.308 3.759 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 2 . 278 . 1 1 6 ALA HB2 H 0.596 0.329 5.241 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 2 . 279 . 1 1 6 ALA HB3 H 0.010 -1.193 4.529 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 2 . 280 . 1 1 6 ALA N N -1.046 -0.250 2.358 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 2 . 281 . 1 1 6 ALA O O 0.178 2.844 3.650 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 2 . 282 . 1 1 7 HIS C C 0.046 3.336 -0.309 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 2 . 283 . 1 1 7 HIS CA C 0.845 3.025 0.958 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 2 . 284 . 1 1 7 HIS CB C 2.337 2.823 0.683 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 2 . 285 . 1 1 7 HIS CD2 C 3.685 1.531 2.512 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 2 . 286 . 1 1 7 HIS CE1 C 4.283 3.248 3.729 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 2 . 287 . 1 1 7 HIS CG C 3.173 2.653 1.929 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 2 . 288 . 1 1 7 HIS H H 0.129 1.070 1.022 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 2 . 289 . 1 1 7 HIS HA H 0.745 3.858 1.654 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 2 . 290 . 1 1 7 HIS HB2 H 2.464 1.945 0.050 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 2 . 291 . 1 1 7 HIS HB3 H 2.711 3.679 0.121 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 2 . 292 . 1 1 7 HIS HD1 H 3.347 4.680 2.556 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 2 . 293 . 1 1 7 HIS HD2 H 3.564 0.511 2.147 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 2 . 294 . 1 1 7 HIS HE1 H 4.735 3.840 4.525 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 2 . 295 . 1 1 7 HIS HE2 H 4.788 1.268 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 2 . 296 . 1 1 7 HIS N N 0.280 1.860 1.617 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 2 . 297 . 1 1 7 HIS ND1 N 3.566 3.718 2.719 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 2 . 298 . 1 1 7 HIS NE2 N 4.356 1.892 3.598 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 2 . 299 . 1 1 7 HIS O O 0.517 4.066 -1.181 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 2 . 300 . 1 1 8 ALA C C -2.026 4.461 -1.883 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 2 . 301 . 1 1 8 ALA CA C -2.018 2.976 -1.517 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 2 . 302 . 1 1 8 ALA CB C -3.418 2.447 -1.198 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 2 . 303 . 1 1 8 ALA H H -1.525 2.176 0.342 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 2 . 304 . 1 1 8 ALA HA H -1.609 2.406 -2.351 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 2 . 305 . 1 1 8 ALA HB1 H -3.715 1.725 -1.958 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 2 . 306 . 1 1 8 ALA HB2 H -3.411 1.964 -0.221 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 2 . 307 . 1 1 8 ALA HB3 H -4.126 3.276 -1.188 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 2 . 308 . 1 1 8 ALA N N -1.149 2.768 -0.371 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 2 . 309 . 1 1 8 ALA O O -1.357 4.875 -2.829 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 2 . 310 . 1 1 9 LYS C C -1.523 7.201 -1.751 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 2 . 311 . 1 1 9 LYS CA C -2.894 6.654 -1.347 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 2 . 312 . 1 1 9 LYS CB C -3.498 7.353 -0.127 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 2 . 313 . 1 1 9 LYS CD C -5.729 6.500 0.685 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 2 . 314 . 1 1 9 LYS CE C -6.505 7.257 1.765 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 2 . 315 . 1 1 9 LYS CG C -5.018 7.471 -0.261 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 2 . 316 . 1 1 9 LYS H H -3.332 4.880 -0.348 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 2 . 317 . 1 1 9 LYS HA H -3.584 6.802 -2.177 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 2 . 318 . 1 1 9 LYS HB2 H -3.252 6.794 0.776 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 2 . 319 . 1 1 9 LYS HB3 H -3.061 8.345 -0.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 2 . 320 . 1 1 9 LYS HD2 H -6.411 5.868 0.117 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 2 . 321 . 1 1 9 LYS HD3 H -4.998 5.841 1.152 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 2 . 322 . 1 1 9 LYS HE2 H -5.992 8.187 2.006 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 2 . 323 . 1 1 9 LYS HE3 H -7.493 7.526 1.390 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 2 . 324 . 1 1 9 LYS HG2 H -5.328 8.492 -0.039 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 2 . 325 . 1 1 9 LYS HG3 H -5.313 7.264 -1.289 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 2 . 326 . 1 1 9 LYS HZ1 H -6.931 5.505 2.728 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 2 . 327 . 1 1 9 LYS HZ2 H -5.758 6.380 3.453 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 2 . 328 . 1 1 9 LYS HZ3 H -7.320 6.836 3.591 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 2 . 329 . 1 1 9 LYS N N -2.790 5.224 -1.115 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 2 . 330 . 1 1 9 LYS NZ N -6.639 6.427 2.983 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 2 . 331 . 1 1 9 LYS O O -1.413 7.956 -2.716 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 2 . 332 . 1 1 10 ALA C C 1.087 7.244 -2.772 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 2 . 333 . 1 1 10 ALA CA C 0.845 7.240 -1.261 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 2 . 334 . 1 1 10 ALA CB C 1.830 6.338 -0.515 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 2 . 335 . 1 1 10 ALA H H -0.612 6.185 -0.211 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 2 . 336 . 1 1 10 ALA HA H 0.945 8.257 -0.883 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 2 . 337 . 1 1 10 ALA HB1 H 2.654 6.940 -0.130 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 2 . 338 . 1 1 10 ALA HB2 H 1.319 5.849 0.314 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 2 . 339 . 1 1 10 ALA HB3 H 2.221 5.583 -1.198 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 2 . 340 . 1 1 10 ALA N N -0.514 6.799 -0.994 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 2 . 341 . 1 1 10 ALA O O 0.690 6.312 -3.470 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 2 . 342 . 1 1 11 GLY C C 3.314 9.254 -4.861 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 2 . 343 . 1 1 11 GLY CA C 2.036 8.440 -4.648 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 2 . 344 . 1 1 11 GLY H H 2.055 9.056 -2.658 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 2 . 345 . 1 1 11 GLY HA2 H 2.149 7.453 -5.097 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 2 . 346 . 1 1 11 GLY HA3 H 1.202 8.927 -5.154 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 2 . 347 . 1 1 11 GLY N N 1.736 8.303 -3.233 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 2 . 348 . 1 1 11 GLY O O 3.694 9.533 -5.997 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 3 . 349 . 1 1 1 ILE C C 0.406 -7.270 -1.760 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 3 . 350 . 1 1 1 ILE CA C 1.640 -8.165 -1.896 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 3 . 351 . 1 1 1 ILE CB C 2.954 -7.457 -1.561 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 3 . 352 . 1 1 1 ILE CD1 C 3.438 -5.094 -2.297 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 3 . 353 . 1 1 1 ILE CG1 C 3.406 -6.564 -2.718 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 3 . 354 . 1 1 1 ILE CG2 C 4.033 -8.464 -1.158 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 3 . 355 . 1 1 1 ILE H1 H 0.938 -8.434 -3.839 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 3 . 356 . 1 1 1 ILE HA H 1.538 -9.001 -1.203 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 3 . 357 . 1 1 1 ILE HB H 2.782 -6.808 -0.702 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 3 . 358 . 1 1 1 ILE HD11 H 4.192 -4.565 -2.880 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 3 . 359 . 1 1 1 ILE HD12 H 2.460 -4.644 -2.474 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 3 . 360 . 1 1 1 ILE HD13 H 3.683 -5.024 -1.237 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 3 . 361 . 1 1 1 ILE HG12 H 4.397 -6.872 -3.053 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 3 . 362 . 1 1 1 ILE HG13 H 2.731 -6.690 -3.564 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 3 . 363 . 1 1 1 ILE HG21 H 4.917 -7.930 -0.811 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 3 . 364 . 1 1 1 ILE HG22 H 3.655 -9.099 -0.356 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 3 . 365 . 1 1 1 ILE HG23 H 4.294 -9.080 -2.018 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 3 . 366 . 1 1 1 ILE N N 1.687 -8.716 -3.239 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 3 . 367 . 1 1 1 ILE O O -0.051 -6.684 -2.740 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 3 . 368 . 1 1 2 ASN C C -0.873 -5.217 0.654 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 3 . 369 . 1 1 2 ASN CA C -1.269 -6.379 -0.260 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 3 . 370 . 1 1 2 ASN CB C -2.350 -7.194 0.452 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 3 . 371 . 1 1 2 ASN CG C -3.734 -6.896 -0.129 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 3 . 372 . 1 1 2 ASN H H 0.281 -7.672 0.255 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 3 . 373 . 1 1 2 ASN HA H -1.620 -6.041 -1.235 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 3 . 374 . 1 1 2 ASN HB2 H -2.132 -8.257 0.355 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 3 . 375 . 1 1 2 ASN HB3 H -2.342 -6.963 1.518 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 3 . 376 . 1 1 2 ASN HD21 H -3.380 -4.924 0.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 3 . 377 . 1 1 2 ASN HD22 H -4.919 -5.305 -0.534 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 3 . 378 . 1 1 2 ASN N N -0.097 -7.192 -0.537 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 3 . 379 . 1 1 2 ASN ND2 N -4.036 -5.601 -0.170 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 3 . 380 . 1 1 2 ASN O O -1.649 -4.282 0.845 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 3 . 381 . 1 1 2 ASN OD1 O -4.477 -7.783 -0.515 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 3 . 382 . 1 1 3 TYR C C 0.911 -2.932 1.370 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 3 . 383 . 1 1 3 TYR CA C 0.840 -4.284 2.083 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 3 . 384 . 1 1 3 TYR CB C 2.256 -4.719 2.468 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 3 . 385 . 1 1 3 TYR CD1 C 3.879 -2.839 2.033 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 3 . 386 . 1 1 3 TYR CD2 C 3.229 -3.275 4.292 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 3 . 387 . 1 1 3 TYR CE1 C 4.720 -1.761 2.483 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 3 . 388 . 1 1 3 TYR CE2 C 4.071 -2.197 4.742 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 3 . 389 . 1 1 3 TYR CG C 3.150 -3.574 2.946 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 3 . 390 . 1 1 3 TYR CZ C 4.775 -1.493 3.816 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 3 . 391 . 1 1 3 TYR H H 0.957 -6.079 1.033 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 3 . 392 . 1 1 3 TYR HA H 0.159 -4.205 2.930 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 3 . 393 . 1 1 3 TYR HB2 H 2.193 -5.470 3.255 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 3 . 394 . 1 1 3 TYR HB3 H 2.725 -5.198 1.608 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 3 . 395 . 1 1 3 TYR HD1 H 3.817 -3.075 0.971 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 3 . 396 . 1 1 3 TYR HD2 H 2.654 -3.855 5.013 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 3 . 397 . 1 1 3 TYR HE1 H 5.301 -1.173 1.772 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 3 . 398 . 1 1 3 TYR HE2 H 4.142 -1.951 5.801 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 3 . 399 . 1 1 3 TYR HH H 5.566 -0.432 5.240 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 3 . 400 . 1 1 3 TYR N N 0.333 -5.315 1.194 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 3 . 401 . 1 1 3 TYR O O 0.947 -1.886 2.018 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 3 . 402 . 1 1 3 TYR OH O 5.570 -0.475 4.241 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 3 . 403 . 1 1 4 TRP C C -0.146 -0.869 -0.327 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 3 . 404 . 1 1 4 TRP CA C 0.996 -1.790 -0.760 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 3 . 405 . 1 1 4 TRP CB C 0.961 -2.126 -2.252 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 3 . 406 . 1 1 4 TRP CD1 C 2.019 -0.686 -4.114 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 3 . 407 . 1 1 4 TRP CD2 C 3.517 -1.689 -2.826 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 3 . 408 . 1 1 4 TRP CE2 C 4.208 -0.959 -3.771 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 3 . 409 . 1 1 4 TRP CE3 C 4.188 -2.447 -1.850 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 3 . 410 . 1 1 4 TRP CG C 2.104 -1.506 -3.057 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 3 . 411 . 1 1 4 TRP CH2 C 6.296 -1.662 -2.871 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 3 . 412 . 1 1 4 TRP CZ2 C 5.606 -0.914 -3.833 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 3 . 413 . 1 1 4 TRP CZ3 C 5.585 -2.392 -1.926 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 3 . 414 . 1 1 4 TRP H H 0.901 -3.851 -0.471 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 3 . 415 . 1 1 4 TRP HA H 1.956 -1.311 -0.565 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 3 . 416 . 1 1 4 TRP HB2 H 0.992 -3.209 -2.371 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 3 . 417 . 1 1 4 TRP HB3 H 0.012 -1.787 -2.668 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 3 . 418 . 1 1 4 TRP HD1 H 1.081 -0.344 -4.551 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 3 . 419 . 1 1 4 TRP HE1 H 3.480 0.325 -5.424 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 3 . 420 . 1 1 4 TRP HE3 H 3.665 -3.032 -1.094 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 3 . 421 . 1 1 4 TRP HH2 H 7.386 -1.671 -2.863 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 3 . 422 . 1 1 4 TRP HZ2 H 6.129 -0.330 -4.590 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 3 . 423 . 1 1 4 TRP HZ3 H 6.155 -2.962 -1.193 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 3 . 424 . 1 1 4 TRP N N 0.930 -2.996 0.047 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 3 . 425 . 1 1 4 TRP NE1 N 3.269 -0.329 -4.579 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 3 . 426 . 1 1 4 TRP O O -0.034 0.353 -0.424 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 3 . 427 . 1 1 5 LEU C C -1.966 0.214 1.711 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 3 . 428 . 1 1 5 LEU CA C -2.381 -0.740 0.589 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 3 . 429 . 1 1 5 LEU CB C -3.515 -1.691 0.978 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 3 . 430 . 1 1 5 LEU CD1 C -4.671 -1.540 -1.259 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 3 . 431 . 1 1 5 LEU CD2 C -5.905 -2.462 0.756 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 3 . 432 . 1 1 5 LEU CG C -4.848 -1.474 0.259 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 3 . 433 . 1 1 5 LEU H H -1.302 -2.483 0.216 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 3 . 434 . 1 1 5 LEU HA H -2.733 -0.147 -0.256 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 3 . 435 . 1 1 5 LEU HB2 H -3.185 -2.713 0.790 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 3 . 436 . 1 1 5 LEU HB3 H -3.684 -1.603 2.051 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 3 . 437 . 1 1 5 LEU HD11 H -5.134 -0.666 -1.717 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 3 . 438 . 1 1 5 LEU HD12 H -3.608 -1.555 -1.500 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 3 . 439 . 1 1 5 LEU HD13 H -5.143 -2.445 -1.641 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 3 . 440 . 1 1 5 LEU HD21 H -6.762 -2.447 0.082 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 3 . 441 . 1 1 5 LEU HD22 H -5.481 -3.466 0.782 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 3 . 442 . 1 1 5 LEU HD23 H -6.227 -2.177 1.758 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 3 . 443 . 1 1 5 LEU HG H -5.206 -0.472 0.499 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 3 . 444 . 1 1 5 LEU N N -1.219 -1.489 0.141 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 3 . 445 . 1 1 5 LEU O O -2.675 1.174 2.008 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 3 . 446 . 1 1 6 ALA C C 0.366 1.981 2.803 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 3 . 447 . 1 1 6 ALA CA C -0.302 0.734 3.386 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 3 . 448 . 1 1 6 ALA CB C 0.659 -0.096 4.240 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 3 . 449 . 1 1 6 ALA H H -0.249 -0.867 2.056 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 3 . 450 . 1 1 6 ALA HA H -1.146 1.040 4.004 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 3 . 451 . 1 1 6 ALA HB1 H 1.687 0.167 3.991 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 3 . 452 . 1 1 6 ALA HB2 H 0.477 0.109 5.295 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 3 . 453 . 1 1 6 ALA HB3 H 0.497 -1.156 4.043 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 3 . 454 . 1 1 6 ALA N N -0.819 -0.084 2.304 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 3 . 455 . 1 1 6 ALA O O 0.628 2.944 3.523 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 3 . 456 . 1 1 7 HIS C C 0.452 3.386 -0.438 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 3 . 457 . 1 1 7 HIS CA C 1.255 3.036 0.816 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 3 . 458 . 1 1 7 HIS CB C 2.722 2.724 0.513 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 3 . 459 . 1 1 7 HIS CD2 C 4.070 1.400 2.319 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 3 . 460 . 1 1 7 HIS CE1 C 4.734 3.103 3.522 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 3 . 461 . 1 1 7 HIS CG C 3.576 2.534 1.744 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 3 . 462 . 1 1 7 HIS H H 0.406 1.137 0.926 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 3 . 463 . 1 1 7 HIS HA H 1.230 3.883 1.502 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 3 . 464 . 1 1 7 HIS HB2 H 2.773 1.821 -0.095 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 3 . 465 . 1 1 7 HIS HB3 H 3.139 3.535 -0.084 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 3 . 466 . 1 1 7 HIS HD1 H 3.814 4.557 2.364 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 3 . 467 . 1 1 7 HIS HD2 H 3.915 0.383 1.959 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 3 . 468 . 1 1 7 HIS HE1 H 5.216 3.684 4.309 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 3 . 469 . 1 1 7 HIS HE2 H 5.197 1.111 4.037 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 3 . 470 . 1 1 7 HIS N N 0.623 1.923 1.504 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 3 . 471 . 1 1 7 HIS ND1 N 4.011 3.590 2.525 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 3 . 472 . 1 1 7 HIS NE2 N 4.770 1.745 3.393 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 3 . 473 . 1 1 7 HIS O O 0.952 4.074 -1.327 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 3 . 474 . 1 1 8 ALA C C -1.772 4.661 -1.822 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 3 . 475 . 1 1 8 ALA CA C -1.656 3.151 -1.600 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 3 . 476 . 1 1 8 ALA CB C -3.015 2.494 -1.349 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 3 . 477 . 1 1 8 ALA H H -1.178 2.340 0.258 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 3 . 478 . 1 1 8 ALA HA H -1.203 2.696 -2.480 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 3 . 479 . 1 1 8 ALA HB1 H -3.002 1.990 -0.383 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 3 . 480 . 1 1 8 ALA HB2 H -3.794 3.256 -1.352 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 3 . 481 . 1 1 8 ALA HB3 H -3.216 1.766 -2.136 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 3 . 482 . 1 1 8 ALA N N -0.779 2.898 -0.469 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 3 . 483 . 1 1 8 ALA O O -1.116 5.214 -2.704 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 3 . 484 . 1 1 9 LYS C C -1.487 7.405 -1.415 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 3 . 485 . 1 1 9 LYS CA C -2.819 6.719 -1.105 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 3 . 486 . 1 1 9 LYS CB C -3.504 7.247 0.158 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 3 . 487 . 1 1 9 LYS CD C -5.684 6.097 0.691 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 3 . 488 . 1 1 9 LYS CE C -7.137 6.413 1.050 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 3 . 489 . 1 1 9 LYS CG C -5.024 7.282 -0.017 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 3 . 490 . 1 1 9 LYS H H -3.140 4.827 -0.293 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 3 . 491 . 1 1 9 LYS HA H -3.500 6.894 -1.938 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 3 . 492 . 1 1 9 LYS HB2 H -3.246 6.615 1.007 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 3 . 493 . 1 1 9 LYS HB3 H -3.137 8.248 0.383 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 3 . 494 . 1 1 9 LYS HD2 H -5.648 5.218 0.047 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 3 . 495 . 1 1 9 LYS HD3 H -5.127 5.852 1.595 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 3 . 496 . 1 1 9 LYS HE2 H -7.178 7.308 1.671 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 3 . 497 . 1 1 9 LYS HE3 H -7.704 6.628 0.144 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 3 . 498 . 1 1 9 LYS HG2 H -5.418 8.215 0.385 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 3 . 499 . 1 1 9 LYS HG3 H -5.272 7.261 -1.078 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 3 . 500 . 1 1 9 LYS HZ1 H -8.178 5.604 2.612 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 3 . 501 . 1 1 9 LYS HZ2 H -8.448 4.851 1.188 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 3 . 502 . 1 1 9 LYS HZ3 H -7.048 4.601 1.992 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 3 . 503 . 1 1 9 LYS N N -2.610 5.284 -1.008 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 3 . 504 . 1 1 9 LYS NZ N -7.753 5.275 1.769 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 3 . 505 . 1 1 9 LYS O O -1.416 8.262 -2.294 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 3 . 506 . 1 1 10 ALA C C 1.131 7.745 -2.355 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 3 . 507 . 1 1 10 ALA CA C 0.861 7.566 -0.860 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 3 . 508 . 1 1 10 ALA CB C 1.898 6.667 -0.184 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 3 . 509 . 1 1 10 ALA H H -0.531 6.303 0.038 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 3 . 510 . 1 1 10 ALA HA H 0.876 8.544 -0.377 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 3 . 511 . 1 1 10 ALA HB1 H 2.716 6.471 -0.877 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 3 . 512 . 1 1 10 ALA HB2 H 2.287 7.165 0.704 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 3 . 513 . 1 1 10 ALA HB3 H 1.431 5.725 0.103 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 3 . 514 . 1 1 10 ALA N N -0.465 7.001 -0.675 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 3 . 515 . 1 1 10 ALA O O 1.209 6.767 -3.097 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 3 . 516 . 1 1 11 GLY C C 2.876 10.020 -4.308 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 3 . 517 . 1 1 11 GLY CA C 1.525 9.321 -4.148 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 3 . 518 . 1 1 11 GLY H H 1.200 9.791 -2.144 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 3 . 519 . 1 1 11 GLY HA2 H 1.512 8.407 -4.742 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 3 . 520 . 1 1 11 GLY HA3 H 0.731 9.962 -4.531 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 3 . 521 . 1 1 11 GLY N N 1.266 9.001 -2.754 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 3 . 522 . 1 1 11 GLY O O 3.009 11.201 -3.990 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 4 . 523 . 1 1 1 ILE C C 0.554 -6.756 -1.636 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 4 . 524 . 1 1 1 ILE CA C 1.651 -7.797 -1.867 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 4 . 525 . 1 1 1 ILE CB C 2.787 -7.731 -0.844 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 4 . 526 . 1 1 1 ILE CD1 C 3.473 -5.374 -1.422 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 4 . 527 . 1 1 1 ILE CG1 C 3.922 -6.834 -1.342 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 4 . 528 . 1 1 1 ILE CG2 C 3.280 -9.133 -0.481 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 4 . 529 . 1 1 1 ILE H1 H 2.776 -8.393 -3.516 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 4 . 530 . 1 1 1 ILE HA H 1.207 -8.789 -1.792 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 4 . 531 . 1 1 1 ILE HB H 2.398 -7.281 0.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 4 . 532 . 1 1 1 ILE HD11 H 2.430 -5.297 -1.113 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 4 . 533 . 1 1 1 ILE HD12 H 4.093 -4.766 -0.764 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 4 . 534 . 1 1 1 ILE HD13 H 3.574 -5.019 -2.448 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 4 . 535 . 1 1 1 ILE HG12 H 4.777 -6.919 -0.671 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 4 . 536 . 1 1 1 ILE HG13 H 4.252 -7.172 -2.324 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 4 . 537 . 1 1 1 ILE HG21 H 2.853 -9.859 -1.174 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 4 . 538 . 1 1 1 ILE HG22 H 4.368 -9.164 -0.548 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 4 . 539 . 1 1 1 ILE HG23 H 2.971 -9.376 0.535 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 4 . 540 . 1 1 1 ILE N N 2.172 -7.654 -3.216 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 4 . 541 . 1 1 1 ILE O O 0.577 -5.681 -2.235 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 4 . 542 . 1 1 2 ASN C C -0.986 -5.107 0.474 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 4 . 543 . 1 1 2 ASN CA C -1.484 -6.220 -0.450 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 4 . 544 . 1 1 2 ASN CB C -2.606 -6.968 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 4 . 545 . 1 1 2 ASN CG C -3.973 -6.601 -0.306 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 4 . 546 . 1 1 2 ASN H H -0.393 -7.986 -0.285 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 4 . 547 . 1 1 2 ASN HA H -1.832 -5.840 -1.411 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 4 . 548 . 1 1 2 ASN HB2 H -2.446 -8.043 0.185 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 4 . 549 . 1 1 2 ASN HB3 H -2.581 -6.729 1.337 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 4 . 550 . 1 1 2 ASN HD21 H -3.467 -4.648 -0.138 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 4 . 551 . 1 1 2 ASN HD22 H -5.043 -4.951 -0.790 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 4 . 552 . 1 1 2 ASN N N -0.381 -7.110 -0.767 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 4 . 553 . 1 1 2 ASN ND2 N -4.178 -5.292 -0.421 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 4 . 554 . 1 1 2 ASN O O -1.703 -4.140 0.729 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 4 . 555 . 1 1 2 ASN OD1 O -4.788 -7.449 -0.627 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 4 . 556 . 1 1 3 TYR C C 0.911 -2.926 1.175 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 4 . 557 . 1 1 3 TYR CA C 0.840 -4.302 1.840 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 4 . 558 . 1 1 3 TYR CB C 2.262 -4.797 2.111 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 4 . 559 . 1 1 3 TYR CD1 C 2.891 -2.791 3.502 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 4 . 560 . 1 1 3 TYR CD2 C 4.470 -3.598 1.899 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 4 . 561 . 1 1 3 TYR CE1 C 3.810 -1.751 3.884 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 4 . 562 . 1 1 3 TYR CE2 C 5.389 -2.558 2.281 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 4 . 563 . 1 1 3 TYR CG C 3.239 -3.692 2.517 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 4 . 564 . 1 1 3 TYR CZ C 5.014 -1.686 3.255 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 4 . 565 . 1 1 3 TYR H H 0.814 -6.069 0.737 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 4 . 566 . 1 1 3 TYR HA H 0.220 -4.234 2.734 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 4 . 567 . 1 1 3 TYR HB2 H 2.230 -5.548 2.900 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 4 . 568 . 1 1 3 TYR HB3 H 2.640 -5.292 1.216 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 4 . 569 . 1 1 3 TYR HD1 H 1.919 -2.865 3.990 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 4 . 570 . 1 1 3 TYR HD2 H 4.745 -4.310 1.121 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 4 . 571 . 1 1 3 TYR HE1 H 3.548 -1.032 4.660 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 4 . 572 . 1 1 3 TYR HE2 H 6.364 -2.472 1.801 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 4 . 573 . 1 1 3 TYR HH H 6.815 -0.961 3.361 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 4 . 574 . 1 1 3 TYR N N 0.238 -5.280 0.950 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 4 . 575 . 1 1 3 TYR O O 0.985 -1.905 1.858 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 4 . 576 . 1 1 3 TYR OH O 5.883 -0.703 3.616 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 4 . 577 . 1 1 4 TRP C C -0.137 -0.767 -0.380 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 4 . 578 . 1 1 4 TRP CA C 0.945 -1.708 -0.915 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 4 . 579 . 1 1 4 TRP CB C 0.809 -1.984 -2.413 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 4 . 580 . 1 1 4 TRP CD1 C 1.752 -0.460 -4.270 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 4 . 581 . 1 1 4 TRP CD2 C 3.324 -1.548 -3.151 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 4 . 582 . 1 1 4 TRP CE2 C 3.955 -0.776 -4.104 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 4 . 583 . 1 1 4 TRP CE3 C 4.052 -2.365 -2.268 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 4 . 584 . 1 1 4 TRP CG C 1.901 -1.335 -3.267 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 4 . 585 . 1 1 4 TRP CH2 C 6.092 -1.551 -3.400 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 4 . 586 . 1 1 4 TRP CZ2 C 5.346 -0.745 -4.268 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 4 . 587 . 1 1 4 TRP CZ3 C 5.441 -2.323 -2.445 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 4 . 588 . 1 1 4 TRP H H 0.824 -3.776 -0.698 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 4 . 589 . 1 1 4 TRP HA H 1.930 -1.268 -0.761 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 4 . 590 . 1 1 4 TRP HB2 H 0.827 -3.062 -2.576 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 4 . 591 . 1 1 4 TRP HB3 H -0.163 -1.627 -2.752 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 4 . 592 . 1 1 4 TRP HD1 H 0.790 -0.084 -4.619 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 4 . 593 . 1 1 4 TRP HE1 H 3.128 0.603 -5.630 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 4 . 594 . 1 1 4 TRP HE3 H 3.577 -2.983 -1.507 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 4 . 595 . 1 1 4 TRP HH2 H 7.179 -1.574 -3.473 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 4 . 596 . 1 1 4 TRP HZ2 H 5.821 -0.127 -5.029 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 4 . 597 . 1 1 4 TRP HZ3 H 6.054 -2.938 -1.786 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 4 . 598 . 1 1 4 TRP N N 0.885 -2.942 -0.150 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 4 . 599 . 1 1 4 TRP NE1 N 2.969 -0.094 -4.807 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 4 . 600 . 1 1 4 TRP O O 0.024 0.452 -0.414 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 4 . 601 . 1 1 5 LEU C C -1.812 0.299 1.769 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 4 . 602 . 1 1 5 LEU CA C -2.323 -0.600 0.642 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 4 . 603 . 1 1 5 LEU CB C -3.463 -1.529 1.065 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 4 . 604 . 1 1 5 LEU CD1 C -4.811 -1.028 -1.007 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 4 . 605 . 1 1 5 LEU CD2 C -5.888 -2.214 0.960 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 4 . 606 . 1 1 5 LEU CG C -4.848 -1.183 0.515 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 4 . 607 . 1 1 5 LEU H H -1.337 -2.361 0.125 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 4 . 608 . 1 1 5 LEU HA H -2.703 0.033 -0.160 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 4 . 609 . 1 1 5 LEU HB2 H -3.213 -2.543 0.754 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 4 . 610 . 1 1 5 LEU HB3 H -3.517 -1.533 2.153 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 4 . 611 . 1 1 5 LEU HD11 H -3.964 -1.585 -1.408 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 4 . 612 . 1 1 5 LEU HD12 H -5.736 -1.415 -1.435 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 4 . 613 . 1 1 5 LEU HD13 H -4.706 0.026 -1.262 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 4 . 614 . 1 1 5 LEU HD21 H -6.610 -2.371 0.159 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 4 . 615 . 1 1 5 LEU HD22 H -5.390 -3.156 1.191 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 4 . 616 . 1 1 5 LEU HD23 H -6.404 -1.848 1.848 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 4 . 617 . 1 1 5 LEU HG H -5.150 -0.222 0.929 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 4 . 618 . 1 1 5 LEU N N -1.215 -1.369 0.101 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 4 . 619 . 1 1 5 LEU O O -2.465 1.275 2.134 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 4 . 620 . 1 1 6 ALA C C 0.638 1.942 2.789 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 4 . 621 . 1 1 6 ALA CA C -0.042 0.700 3.368 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 4 . 622 . 1 1 6 ALA CB C 0.933 -0.193 4.139 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 4 . 623 . 1 1 6 ALA H H -0.123 -0.858 1.987 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 4 . 624 . 1 1 6 ALA HA H -0.839 1.013 4.042 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 4 . 625 . 1 1 6 ALA HB1 H 1.950 0.003 3.800 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 4 . 626 . 1 1 6 ALA HB2 H 0.858 0.023 5.205 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 4 . 627 . 1 1 6 ALA HB3 H 0.686 -1.239 3.961 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 4 . 628 . 1 1 6 ALA N N -0.648 -0.062 2.290 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 4 . 629 . 1 1 6 ALA O O 0.981 2.866 3.525 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 4 . 630 . 1 1 7 HIS C C 0.604 3.439 -0.422 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 4 . 631 . 1 1 7 HIS CA C 1.446 3.038 0.790 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 4 . 632 . 1 1 7 HIS CB C 2.892 2.698 0.421 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 4 . 633 . 1 1 7 HIS CD2 C 4.292 1.307 2.135 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 4 . 634 . 1 1 7 HIS CE1 C 5.022 2.967 3.360 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 4 . 635 . 1 1 7 HIS CG C 3.790 2.463 1.612 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 4 . 636 . 1 1 7 HIS H H 0.532 1.168 0.885 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 4 . 637 . 1 1 7 HIS HA H 1.470 3.868 1.496 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 4 . 638 . 1 1 7 HIS HB2 H 2.896 1.806 -0.206 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 4 . 639 . 1 1 7 HIS HB3 H 3.304 3.510 -0.177 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 4 . 640 . 1 1 7 HIS HD1 H 4.076 4.464 2.280 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 4 . 641 . 1 1 7 HIS HD2 H 4.112 0.303 1.752 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 4 . 642 . 1 1 7 HIS HE1 H 5.541 3.520 4.143 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 4 . 643 . 1 1 7 HIS HE2 H 5.481 0.956 3.799 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 4 . 644 . 1 1 7 HIS N N 0.813 1.924 1.476 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 4 . 645 . 1 1 7 HIS ND1 N 4.268 3.491 2.405 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 4 . 646 . 1 1 7 HIS NE2 N 5.037 1.613 3.190 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 4 . 647 . 1 1 7 HIS O O 1.088 4.127 -1.319 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 4 . 648 . 1 1 8 ALA C C -1.770 4.810 -1.572 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 4 . 649 . 1 1 8 ALA CA C -1.558 3.297 -1.497 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 4 . 650 . 1 1 8 ALA CB C -2.868 2.534 -1.291 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 4 . 651 . 1 1 8 ALA H H -1.030 2.433 0.323 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 4 . 652 . 1 1 8 ALA HA H -1.096 2.957 -2.424 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 4 . 653 . 1 1 8 ALA HB1 H -2.993 1.804 -2.090 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 4 . 654 . 1 1 8 ALA HB2 H -2.842 2.020 -0.330 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 4 . 655 . 1 1 8 ALA HB3 H -3.703 3.235 -1.306 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 4 . 656 . 1 1 8 ALA N N -0.644 2.993 -0.410 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 4 . 657 . 1 1 8 ALA O O -1.141 5.489 -2.382 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 4 . 658 . 1 1 9 LYS C C -1.672 7.512 -0.890 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 4 . 659 . 1 1 9 LYS CA C -2.960 6.715 -0.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 4 . 660 . 1 1 9 LYS CB C -3.692 7.069 0.622 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 4 . 661 . 1 1 9 LYS CD C -5.781 5.659 0.730 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 4 . 662 . 1 1 9 LYS CE C -6.828 5.253 -0.309 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 4 . 663 . 1 1 9 LYS CG C -5.209 7.044 0.419 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 4 . 664 . 1 1 9 LYS H H -3.164 4.735 -0.060 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 4 . 665 . 1 1 9 LYS HA H -3.641 6.928 -1.498 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 4 . 666 . 1 1 9 LYS HB2 H -3.415 6.364 1.406 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 4 . 667 . 1 1 9 LYS HB3 H -3.383 8.058 0.960 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 4 . 668 . 1 1 9 LYS HD2 H -4.976 4.925 0.747 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 4 . 669 . 1 1 9 LYS HD3 H -6.231 5.662 1.723 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 4 . 670 . 1 1 9 LYS HE2 H -6.897 6.018 -1.082 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 4 . 671 . 1 1 9 LYS HE3 H -6.521 4.330 -0.801 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 4 . 672 . 1 1 9 LYS HG2 H -5.677 7.788 1.063 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 4 . 673 . 1 1 9 LYS HG3 H -5.446 7.317 -0.609 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 4 . 674 . 1 1 9 LYS HZ1 H -8.700 4.438 -0.218 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 4 . 675 . 1 1 9 LYS HZ2 H -8.023 4.684 1.248 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 4 . 676 . 1 1 9 LYS HZ3 H -8.614 5.948 0.399 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 4 . 677 . 1 1 9 LYS N N -2.657 5.294 -0.715 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 4 . 678 . 1 1 9 LYS NZ N -8.148 5.066 0.332 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 4 . 679 . 1 1 9 LYS O O -1.650 8.463 -1.670 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 4 . 680 . 1 1 10 ALA C C 0.924 8.118 -1.754 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 4 . 681 . 1 1 10 ALA CA C 0.658 7.760 -0.290 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 4 . 682 . 1 1 10 ALA CB C 1.746 6.859 0.297 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 4 . 683 . 1 1 10 ALA H H -0.657 6.322 0.447 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 4 . 684 . 1 1 10 ALA HA H 0.607 8.677 0.296 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 4 . 685 . 1 1 10 ALA HB1 H 1.514 6.640 1.339 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 4 . 686 . 1 1 10 ALA HB2 H 1.791 5.928 -0.269 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 4 . 687 . 1 1 10 ALA HB3 H 2.709 7.366 0.238 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 4 . 688 . 1 1 10 ALA N N -0.631 7.096 -0.185 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 4 . 689 . 1 1 10 ALA O O 0.545 7.375 -2.657 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 4 . 690 . 1 1 11 GLY C C 0.632 10.153 -4.029 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 4 . 691 . 1 1 11 GLY CA C 1.895 9.723 -3.280 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 4 . 692 . 1 1 11 GLY H H 1.878 9.856 -1.201 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 4 . 693 . 1 1 11 GLY HA2 H 2.590 10.561 -3.220 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 4 . 694 . 1 1 11 GLY HA3 H 2.399 8.931 -3.834 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 4 . 695 . 1 1 11 GLY N N 1.574 9.258 -1.942 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 4 . 696 . 1 1 11 GLY O O 0.646 10.286 -5.252 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 5 . 697 . 1 1 1 ILE C C 0.418 -6.747 -2.133 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 5 . 698 . 1 1 1 ILE CA C 1.568 -7.741 -2.308 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 5 . 699 . 1 1 1 ILE CB C 2.840 -7.348 -1.554 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 5 . 700 . 1 1 1 ILE CD1 C 3.005 -4.853 -1.882 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 5 . 701 . 1 1 1 ILE CG1 C 3.577 -6.217 -2.274 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 5 . 702 . 1 1 1 ILE CG2 C 3.740 -8.564 -1.326 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 5 . 703 . 1 1 1 ILE H1 H 1.709 -8.834 -4.075 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 5 . 704 . 1 1 1 ILE HA H 1.250 -8.709 -1.921 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 5 . 705 . 1 1 1 ILE HB H 2.553 -6.972 -0.572 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 5 . 706 . 1 1 1 ILE HD11 H 3.305 -4.613 -0.862 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 5 . 707 . 1 1 1 ILE HD12 H 3.387 -4.090 -2.561 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 5 . 708 . 1 1 1 ILE HD13 H 1.918 -4.884 -1.944 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 5 . 709 . 1 1 1 ILE HG12 H 4.638 -6.255 -2.028 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 5 . 710 . 1 1 1 ILE HG13 H 3.495 -6.353 -3.352 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 5 . 711 . 1 1 1 ILE HG21 H 3.791 -9.155 -2.241 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 5 . 712 . 1 1 1 ILE HG22 H 4.741 -8.230 -1.053 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 5 . 713 . 1 1 1 ILE HG23 H 3.329 -9.175 -0.522 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 5 . 714 . 1 1 1 ILE N N 1.847 -7.908 -3.724 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 5 . 715 . 1 1 1 ILE O O 0.166 -5.923 -3.010 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 5 . 716 . 1 1 2 ASN C C -0.930 -4.944 0.347 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 5 . 717 . 1 1 2 ASN CA C -1.366 -5.979 -0.692 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 5 . 718 . 1 1 2 ASN CB C -2.543 -6.764 -0.110 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 5 . 719 . 1 1 2 ASN CG C -3.856 -6.366 -0.787 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 5 . 720 . 1 1 2 ASN H H -0.037 -7.530 -0.284 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 5 . 721 . 1 1 2 ASN HA H -1.639 -5.525 -1.644 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 5 . 722 . 1 1 2 ASN HB2 H -2.372 -7.833 -0.241 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 5 . 723 . 1 1 2 ASN HB3 H -2.613 -6.582 0.962 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 5 . 724 . 1 1 2 ASN HD21 H -2.952 -6.614 -2.581 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 5 . 725 . 1 1 2 ASN HD22 H -4.611 -6.120 -2.650 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 5 . 726 . 1 1 2 ASN N N -0.249 -6.857 -0.993 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 5 . 727 . 1 1 2 ASN ND2 N -3.802 -6.366 -2.116 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 5 . 728 . 1 1 2 ASN O O -1.667 -4.003 0.639 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 5 . 729 . 1 1 2 ASN OD1 O -4.853 -6.077 -0.145 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 5 . 730 . 1 1 3 TYR C C 0.887 -2.817 1.338 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 5 . 731 . 1 1 3 TYR CA C 0.811 -4.248 1.876 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 5 . 732 . 1 1 3 TYR CB C 2.227 -4.746 2.169 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 5 . 733 . 1 1 3 TYR CD1 C 2.819 -2.937 3.822 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 5 . 734 . 1 1 3 TYR CD2 C 4.369 -3.419 2.066 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 5 . 735 . 1 1 3 TYR CE1 C 3.706 -1.919 4.324 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 5 . 736 . 1 1 3 TYR CE2 C 5.255 -2.402 2.569 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 5 . 737 . 1 1 3 TYR CG C 3.169 -3.665 2.703 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 5 . 738 . 1 1 3 TYR CZ C 4.880 -1.702 3.673 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 5 . 739 . 1 1 3 TYR H H 0.860 -5.919 0.633 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 5 . 740 . 1 1 3 TYR HA H 0.150 -4.268 2.742 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 5 . 741 . 1 1 3 TYR HB2 H 2.173 -5.558 2.895 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 5 . 742 . 1 1 3 TYR HB3 H 2.651 -5.164 1.255 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 5 . 743 . 1 1 3 TYR HD1 H 1.872 -3.131 4.324 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 5 . 744 . 1 1 3 TYR HD2 H 4.645 -3.994 1.183 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 5 . 745 . 1 1 3 TYR HE1 H 3.441 -1.337 5.207 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 5 . 746 . 1 1 3 TYR HE2 H 6.205 -2.197 2.076 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 5 . 747 . 1 1 3 TYR HH H 5.349 -0.355 4.994 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 5 . 748 . 1 1 3 TYR N N 0.267 -5.151 0.876 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 5 . 749 . 1 1 3 TYR O O 1.028 -1.868 2.107 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 5 . 750 . 1 1 3 TYR OH O 5.717 -0.741 4.148 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 5 . 751 . 1 1 4 TRP C C -0.302 -0.559 -0.085 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 5 . 752 . 1 1 4 TRP CA C 0.847 -1.410 -0.628 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 5 . 753 . 1 1 4 TRP CB C 0.815 -1.556 -2.151 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 5 . 754 . 1 1 4 TRP CD1 C 1.908 0.084 -3.817 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 5 . 755 . 1 1 4 TRP CD2 C 3.381 -1.092 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 5 . 756 . 1 1 4 TRP CE2 C 4.090 -0.263 -3.498 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 5 . 757 . 1 1 4 TRP CE3 C 4.034 -1.974 -1.774 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 5 . 758 . 1 1 4 TRP CG C 1.973 -0.860 -2.868 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 5 . 759 . 1 1 4 TRP CH2 C 6.161 -1.104 -2.681 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 5 . 760 . 1 1 4 TRP CZ2 C 5.489 -0.233 -3.548 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 5 . 761 . 1 1 4 TRP CZ3 C 5.433 -1.933 -1.836 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 5 . 762 . 1 1 4 TRP H H 0.676 -3.486 -0.598 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 5 . 763 . 1 1 4 TRP HA H 1.803 -0.951 -0.374 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 5 . 764 . 1 1 4 TRP HB2 H 0.829 -2.616 -2.404 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 5 . 765 . 1 1 4 TRP HB3 H -0.126 -1.152 -2.525 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 5 . 766 . 1 1 4 TRP HD1 H 0.979 0.491 -4.215 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 5 . 767 . 1 1 4 TRP HE1 H 3.393 1.225 -4.987 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 5 . 768 . 1 1 4 TRP HE3 H 3.497 -2.639 -1.098 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 5 . 769 . 1 1 4 TRP HH2 H 7.251 -1.131 -2.668 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 5 . 770 . 1 1 4 TRP HZ2 H 6.026 0.431 -4.224 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 5 . 771 . 1 1 4 TRP HZ3 H 5.989 -2.597 -1.175 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 5 . 772 . 1 1 4 TRP N N 0.791 -2.708 0.021 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 5 . 773 . 1 1 4 TRP NE1 N 3.166 0.475 -4.229 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 5 . 774 . 1 1 4 TRP O O -0.243 0.669 -0.124 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 5 . 775 . 1 1 5 LEU C C -2.041 0.349 2.100 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 5 . 776 . 1 1 5 LEU CA C -2.484 -0.568 0.959 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 5 . 777 . 1 1 5 LEU CB C -3.553 -1.584 1.366 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 5 . 778 . 1 1 5 LEU CD1 C -4.234 -2.036 -1.019 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 5 . 779 . 1 1 5 LEU CD2 C -5.704 -2.814 0.896 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 5 . 780 . 1 1 5 LEU CG C -4.728 -1.746 0.399 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 5 . 781 . 1 1 5 LEU H H -1.363 -2.244 0.436 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 5 . 782 . 1 1 5 LEU HA H -2.909 0.047 0.166 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 5 . 783 . 1 1 5 LEU HB2 H -3.075 -2.555 1.491 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 5 . 784 . 1 1 5 LEU HB3 H -3.948 -1.295 2.341 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 5 . 785 . 1 1 5 LEU HD11 H -3.974 -3.091 -1.105 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 5 . 786 . 1 1 5 LEU HD12 H -5.021 -1.796 -1.734 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 5 . 787 . 1 1 5 LEU HD13 H -3.354 -1.427 -1.230 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 5 . 788 . 1 1 5 LEU HD21 H -5.716 -2.816 1.986 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 5 . 789 . 1 1 5 LEU HD22 H -6.704 -2.594 0.522 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 5 . 790 . 1 1 5 LEU HD23 H -5.387 -3.792 0.534 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 5 . 791 . 1 1 5 LEU HG H -5.273 -0.803 0.363 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 5 . 792 . 1 1 5 LEU N N -1.322 -1.246 0.409 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 5 . 793 . 1 1 5 LEU O O -2.764 1.269 2.479 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 5 . 794 . 1 1 6 ALA C C 0.306 2.139 3.146 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 5 . 795 . 1 1 6 ALA CA C -0.306 0.855 3.708 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 5 . 796 . 1 1 6 ALA CB C 0.711 0.015 4.484 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 5 . 797 . 1 1 6 ALA H H -0.272 -0.684 2.304 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 5 . 798 . 1 1 6 ALA HA H -1.128 1.115 4.375 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 5 . 799 . 1 1 6 ALA HB1 H 0.970 0.524 5.413 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 5 . 800 . 1 1 6 ALA HB2 H 0.280 -0.959 4.712 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 5 . 801 . 1 1 6 ALA HB3 H 1.609 -0.117 3.880 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 5 . 802 . 1 1 6 ALA N N -0.854 0.066 2.618 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 5 . 803 . 1 1 6 ALA O O 0.559 3.087 3.888 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 5 . 804 . 1 1 7 HIS C C 0.271 3.627 -0.067 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 5 . 805 . 1 1 7 HIS CA C 1.103 3.282 1.169 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 5 . 806 . 1 1 7 HIS CB C 2.578 3.038 0.841 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 5 . 807 . 1 1 7 HIS CD2 C 4.014 1.735 2.594 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 5 . 808 . 1 1 7 HIS CE1 C 4.604 3.436 3.838 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 5 . 809 . 1 1 7 HIS CG C 3.456 2.858 2.056 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 5 . 810 . 1 1 7 HIS H H 0.317 1.354 1.243 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 5 . 811 . 1 1 7 HIS HA H 1.053 4.112 1.874 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 5 . 812 . 1 1 7 HIS HB2 H 2.658 2.150 0.213 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 5 . 813 . 1 1 7 HIS HB3 H 2.953 3.877 0.256 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 5 . 814 . 1 1 7 HIS HD1 H 3.596 4.872 2.731 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 5 . 815 . 1 1 7 HIS HD2 H 3.908 0.722 2.207 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 5 . 816 . 1 1 7 HIS HE1 H 5.065 4.019 4.635 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 5 . 817 . 1 1 7 HIS HE2 H 5.175 1.457 4.291 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 5 . 818 . 1 1 7 HIS N N 0.526 2.129 1.839 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 5 . 819 . 1 1 7 HIS ND1 N 3.845 3.913 2.863 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 5 . 820 . 1 1 7 HIS NE2 N 4.708 2.086 3.670 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 5 . 821 . 1 1 7 HIS O O 0.728 4.360 -0.943 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 5 . 822 . 1 1 8 ALA C C -1.860 4.821 -1.530 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 5 . 823 . 1 1 8 ALA CA C -1.838 3.325 -1.213 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 5 . 824 . 1 1 8 ALA CB C -3.227 2.780 -0.873 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 5 . 825 . 1 1 8 ALA H H -1.301 2.488 0.618 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 5 . 826 . 1 1 8 ALA HA H -1.450 2.784 -2.076 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 5 . 827 . 1 1 8 ALA HB1 H -3.405 2.879 0.197 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 5 . 828 . 1 1 8 ALA HB2 H -3.982 3.344 -1.421 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 5 . 829 . 1 1 8 ALA HB3 H -3.284 1.729 -1.155 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 5 . 830 . 1 1 8 ALA N N -0.937 3.083 -0.098 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 5 . 831 . 1 1 8 ALA O O -1.232 5.265 -2.490 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 5 . 832 . 1 1 9 LYS C C -1.351 7.556 -1.331 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 5 . 833 . 1 1 9 LYS CA C -2.703 6.995 -0.886 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 5 . 834 . 1 1 9 LYS CB C -3.255 7.653 0.380 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 5 . 835 . 1 1 9 LYS CD C -5.444 6.681 1.169 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 5 . 836 . 1 1 9 LYS CE C -6.067 5.598 0.287 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 5 . 837 . 1 1 9 LYS CG C -4.779 7.766 0.319 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 5 . 838 . 1 1 9 LYS H H -3.099 5.189 0.073 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 5 . 839 . 1 1 9 LYS HA H -3.427 7.169 -1.682 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 5 . 840 . 1 1 9 LYS HB2 H -2.964 7.070 1.254 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 5 . 841 . 1 1 9 LYS HB3 H -2.817 8.644 0.499 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 5 . 842 . 1 1 9 LYS HD2 H -4.706 6.233 1.835 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 5 . 843 . 1 1 9 LYS HD3 H -6.212 7.129 1.800 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 5 . 844 . 1 1 9 LYS HE2 H -6.485 6.049 -0.613 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 5 . 845 . 1 1 9 LYS HE3 H -5.298 4.896 -0.036 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 5 . 846 . 1 1 9 LYS HG2 H -5.089 8.750 0.671 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 5 . 847 . 1 1 9 LYS HG3 H -5.113 7.678 -0.715 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 5 . 848 . 1 1 9 LYS HZ1 H -7.071 3.899 0.818 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 5 . 849 . 1 1 9 LYS HZ2 H -7.006 5.017 2.007 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 5 . 850 . 1 1 9 LYS HZ3 H -8.023 5.223 0.746 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 5 . 851 . 1 1 9 LYS N N -2.590 5.558 -0.706 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 5 . 852 . 1 1 9 LYS NZ N -7.128 4.876 1.024 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 5 . 853 . 1 1 9 LYS O O -1.280 8.338 -2.278 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 5 . 854 . 1 1 10 ALA C C 1.216 7.630 -2.457 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 5 . 855 . 1 1 10 ALA CA C 1.036 7.585 -0.938 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 5 . 856 . 1 1 10 ALA CB C 2.052 6.666 -0.257 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 5 . 857 . 1 1 10 ALA H H -0.376 6.498 0.141 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 5 . 858 . 1 1 10 ALA HA H 1.149 8.592 -0.537 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 5 . 859 . 1 1 10 ALA HB1 H 1.557 6.097 0.530 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 5 . 860 . 1 1 10 ALA HB2 H 2.471 5.979 -0.992 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 5 . 861 . 1 1 10 ALA HB3 H 2.851 7.266 0.177 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 5 . 862 . 1 1 10 ALA N N -0.310 7.134 -0.627 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 5 . 863 . 1 1 10 ALA O O 1.477 8.690 -3.023 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 5 . 864 . 1 1 11 GLY C C -0.153 6.278 -5.197 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 5 . 865 . 1 1 11 GLY CA C 1.214 6.359 -4.514 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 5 . 866 . 1 1 11 GLY H H 0.858 5.608 -2.604 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 5 . 867 . 1 1 11 GLY HA2 H 1.764 7.220 -4.893 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 5 . 868 . 1 1 11 GLY HA3 H 1.800 5.473 -4.760 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 5 . 869 . 1 1 11 GLY N N 1.070 6.466 -3.072 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 5 . 870 . 1 1 11 GLY O O -0.740 5.202 -5.294 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 6 . 871 . 1 1 1 ILE C C 0.883 -7.088 -2.194 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 6 . 872 . 1 1 1 ILE CA C 2.220 -7.767 -2.496 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 6 . 873 . 1 1 1 ILE CB C 3.437 -6.895 -2.181 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 6 . 874 . 1 1 1 ILE CD1 C 3.518 -4.432 -2.718 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 6 . 875 . 1 1 1 ILE CG1 C 3.660 -5.850 -3.276 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 6 . 876 . 1 1 1 ILE CG2 C 4.681 -7.755 -1.947 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 6 . 877 . 1 1 1 ILE H1 H 3.124 -8.086 -4.345 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 6 . 878 . 1 1 1 ILE HA H 2.298 -8.664 -1.881 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 6 . 879 . 1 1 1 ILE HB H 3.240 -6.355 -1.255 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 6 . 880 . 1 1 1 ILE HD11 H 4.498 -4.057 -2.424 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 6 . 881 . 1 1 1 ILE HD12 H 3.093 -3.782 -3.482 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 6 . 882 . 1 1 1 ILE HD13 H 2.860 -4.449 -1.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 6 . 883 . 1 1 1 ILE HG12 H 4.653 -5.976 -3.707 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 6 . 884 . 1 1 1 ILE HG13 H 2.941 -6.002 -4.081 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 6 . 885 . 1 1 1 ILE HG21 H 5.572 -7.183 -2.206 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 6 . 886 . 1 1 1 ILE HG22 H 4.729 -8.047 -0.898 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 6 . 887 . 1 1 1 ILE HG23 H 4.629 -8.647 -2.571 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 6 . 888 . 1 1 1 ILE N N 2.241 -8.189 -3.886 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 6 . 889 . 1 1 1 ILE O O 0.278 -6.480 -3.076 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 6 . 890 . 1 1 2 ASN C C -0.508 -5.507 0.495 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 6 . 891 . 1 1 2 ASN CA C -0.794 -6.619 -0.515 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 6 . 892 . 1 1 2 ASN CB C -1.691 -7.656 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 6 . 893 . 1 1 2 ASN CG C -3.143 -7.509 -0.294 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 6 . 894 . 1 1 2 ASN H H 0.958 -7.709 -0.233 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 6 . 895 . 1 1 2 ASN HA H -1.261 -6.244 -1.427 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 6 . 896 . 1 1 2 ASN HB2 H -1.332 -8.659 -0.066 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 6 . 897 . 1 1 2 ASN HB3 H -1.634 -7.537 1.247 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 6 . 898 . 1 1 2 ASN HD21 H -3.103 -5.589 0.346 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 6 . 899 . 1 1 2 ASN HD22 H -4.603 -6.108 -0.346 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 6 . 900 . 1 1 2 ASN N N 0.460 -7.213 -0.945 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 6 . 901 . 1 1 2 ASN ND2 N -3.659 -6.302 -0.080 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 6 . 902 . 1 1 2 ASN O O -1.393 -4.719 0.825 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 6 . 903 . 1 1 2 ASN OD1 O -3.755 -8.432 -0.807 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 6 . 904 . 1 1 3 TYR C C 0.994 -3.064 1.352 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 6 . 905 . 1 1 3 TYR CA C 1.148 -4.475 1.924 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 6 . 906 . 1 1 3 TYR CB C 2.630 -4.741 2.199 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 6 . 907 . 1 1 3 TYR CD1 C 3.152 -3.069 4.013 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 6 . 908 . 1 1 3 TYR CD2 C 4.318 -2.888 1.934 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 6 . 909 . 1 1 3 TYR CE1 C 3.870 -1.926 4.515 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 6 . 910 . 1 1 3 TYR CE2 C 5.036 -1.744 2.437 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 6 . 911 . 1 1 3 TYR CG C 3.392 -3.526 2.733 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 6 . 912 . 1 1 3 TYR CZ C 4.776 -1.320 3.702 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 6 . 913 . 1 1 3 TYR H H 1.448 -6.121 0.685 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 6 . 914 . 1 1 3 TYR HA H 0.513 -4.573 2.805 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 6 . 915 . 1 1 3 TYR HB2 H 2.715 -5.555 2.919 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 6 . 916 . 1 1 3 TYR HB3 H 3.104 -5.079 1.278 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 6 . 917 . 1 1 3 TYR HD1 H 2.420 -3.574 4.644 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 6 . 918 . 1 1 3 TYR HD2 H 4.507 -3.248 0.923 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 6 . 919 . 1 1 3 TYR HE1 H 3.690 -1.555 5.525 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 6 . 920 . 1 1 3 TYR HE2 H 5.770 -1.231 1.816 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 6 . 921 . 1 1 3 TYR HH H 6.291 -0.537 4.636 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 6 . 922 . 1 1 3 TYR N N 0.734 -5.477 0.958 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 6 . 923 . 1 1 3 TYR O O 0.960 -2.087 2.099 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 6 . 924 . 1 1 3 TYR OH O 5.453 -0.241 4.177 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 6 . 925 . 1 1 4 TRP C C -0.478 -1.026 -0.074 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 6 . 926 . 1 1 4 TRP CA C 0.753 -1.728 -0.650 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 6 . 927 . 1 1 4 TRP CB C 0.676 -1.923 -2.166 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 6 . 928 . 1 1 4 TRP CD1 C 1.419 -0.178 -3.916 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 6 . 929 . 1 1 4 TRP CD2 C 3.111 -1.081 -2.807 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 6 . 930 . 1 1 4 TRP CE2 C 3.641 -0.174 -3.703 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 6 . 931 . 1 1 4 TRP CE3 C 3.935 -1.828 -1.947 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 6 . 932 . 1 1 4 TRP CG C 1.676 -1.075 -2.954 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 6 . 933 . 1 1 4 TRP CH2 C 5.854 -0.663 -2.977 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 6 . 934 . 1 1 4 TRP CZ2 C 5.015 0.070 -3.824 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 6 . 935 . 1 1 4 TRP CZ3 C 5.305 -1.572 -2.080 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 6 . 936 . 1 1 4 TRP H H 0.932 -3.802 -0.569 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 6 . 937 . 1 1 4 TRP HA H 1.647 -1.137 -0.451 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 6 . 938 . 1 1 4 TRP HB2 H 0.846 -2.975 -2.396 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 6 . 939 . 1 1 4 TRP HB3 H -0.333 -1.682 -2.501 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 6 . 940 . 1 1 4 TRP HD1 H 0.420 0.070 -4.273 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 6 . 941 . 1 1 4 TRP HE1 H 2.651 1.148 -5.181 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 6 . 942 . 1 1 4 TRP HE3 H 3.541 -2.549 -1.231 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 6 . 943 . 1 1 4 TRP HH2 H 6.934 -0.520 -3.020 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 6 . 944 . 1 1 4 TRP HZ2 H 5.408 0.792 -4.540 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 6 . 945 . 1 1 4 TRP HZ3 H 5.989 -2.124 -1.436 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 6 . 946 . 1 1 4 TRP N N 0.904 -3.003 0.031 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 6 . 947 . 1 1 4 TRP NE1 N 2.580 0.392 -4.398 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 6 . 948 . 1 1 4 TRP O O -0.562 0.201 -0.090 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 6 . 949 . 1 1 5 LEU C C -2.274 -0.412 2.193 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 6 . 950 . 1 1 5 LEU CA C -2.625 -1.307 1.003 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 6 . 951 . 1 1 5 LEU CB C -3.588 -2.444 1.352 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 6 . 952 . 1 1 5 LEU CD1 C -4.868 -2.270 -0.814 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 6 . 953 . 1 1 5 LEU CD2 C -5.845 -3.549 1.146 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 6 . 954 . 1 1 5 LEU CG C -4.974 -2.370 0.709 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 6 . 955 . 1 1 5 LEU H H -1.327 -2.832 0.432 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 6 . 956 . 1 1 5 LEU HA H -3.111 -0.696 0.242 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 6 . 957 . 1 1 5 LEU HB2 H -3.125 -3.387 1.062 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 6 . 958 . 1 1 5 LEU HB3 H -3.712 -2.469 2.434 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 6 . 959 . 1 1 5 LEU HD11 H -3.819 -2.209 -1.102 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 6 . 960 . 1 1 5 LEU HD12 H -5.319 -3.152 -1.268 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 6 . 961 . 1 1 5 LEU HD13 H -5.391 -1.377 -1.157 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 6 . 962 . 1 1 5 LEU HD21 H -6.578 -3.768 0.370 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 6 . 963 . 1 1 5 LEU HD22 H -5.217 -4.425 1.309 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 6 . 964 . 1 1 5 LEU HD23 H -6.362 -3.296 2.072 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 6 . 965 . 1 1 5 LEU HG H -5.465 -1.461 1.058 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 6 . 966 . 1 1 5 LEU N N -1.403 -1.835 0.423 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 6 . 967 . 1 1 5 LEU O O -3.106 0.369 2.654 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 6 . 968 . 1 1 6 ALA C C -0.012 1.561 3.276 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 6 . 969 . 1 1 6 ALA CA C -0.571 0.231 3.785 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 6 . 970 . 1 1 6 ALA CB C 0.466 -0.574 4.571 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 6 . 971 . 1 1 6 ALA H H -0.372 -1.193 2.277 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 6 . 972 . 1 1 6 ALA HA H -1.425 0.429 4.432 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 6 . 973 . 1 1 6 ALA HB1 H 0.208 -0.564 5.630 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 6 . 974 . 1 1 6 ALA HB2 H 0.478 -1.603 4.210 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 6 . 975 . 1 1 6 ALA HB3 H 1.452 -0.130 4.433 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 6 . 976 . 1 1 6 ALA N N -1.042 -0.555 2.658 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 6 . 977 . 1 1 6 ALA O O 0.381 2.417 4.068 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 6 . 978 . 1 1 7 HIS C C -0.252 3.167 0.032 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 6 . 979 . 1 1 7 HIS CA C 0.509 2.906 1.334 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 6 . 980 . 1 1 7 HIS CB C 2.023 2.823 1.130 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 6 . 981 . 1 1 7 HIS CD2 C 2.582 4.050 3.369 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 6 . 982 . 1 1 7 HIS CE1 C 4.495 3.076 3.790 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 6 . 983 . 1 1 7 HIS CG C 2.828 3.165 2.361 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 6 . 984 . 1 1 7 HIS H H -0.317 0.993 1.321 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 6 . 985 . 1 1 7 HIS HA H 0.311 3.721 2.030 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 6 . 986 . 1 1 7 HIS HB2 H 2.281 1.813 0.809 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 6 . 987 . 1 1 7 HIS HB3 H 2.308 3.497 0.323 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 6 . 988 . 1 1 7 HIS HD1 H 4.497 1.869 2.101 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 6 . 989 . 1 1 7 HIS HD2 H 1.706 4.694 3.452 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 6 . 990 . 1 1 7 HIS HE1 H 5.429 2.807 4.284 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 6 . 991 . 1 1 7 HIS HE2 H 3.697 4.577 5.038 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 6 . 992 . 1 1 7 HIS N N 0.005 1.694 1.958 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 6 . 993 . 1 1 7 HIS ND1 N 4.041 2.567 2.654 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 6 . 994 . 1 1 7 HIS NE2 N 3.589 3.994 4.232 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 6 . 995 . 1 1 7 HIS O O 0.223 3.903 -0.831 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 6 . 996 . 1 1 8 ALA C C -2.182 4.158 -1.726 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 6 . 997 . 1 1 8 ALA CA C -2.250 2.706 -1.249 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 6 . 998 . 1 1 8 ALA CB C -3.680 2.262 -0.931 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 6 . 999 . 1 1 8 ALA H H -1.799 1.952 0.639 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 6 . 1000 . 1 1 8 ALA HA H -1.846 2.057 -2.027 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 6 . 1001 . 1 1 8 ALA HB1 H -4.385 2.957 -1.388 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 6 . 1002 . 1 1 8 ALA HB2 H -3.846 1.261 -1.329 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 6 . 1003 . 1 1 8 ALA HB3 H -3.825 2.254 0.149 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 6 . 1004 . 1 1 8 ALA N N -1.419 2.549 -0.068 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 6 . 1005 . 1 1 8 ALA O O -1.476 4.468 -2.684 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 6 . 1006 . 1 1 9 LYS C C -1.529 6.936 -1.542 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 6 . 1007 . 1 1 9 LYS CA C -2.960 6.421 -1.378 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 6 . 1008 . 1 1 9 LYS CB C -3.780 7.202 -0.348 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 6 . 1009 . 1 1 9 LYS CD C -6.068 8.100 0.216 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 6 . 1010 . 1 1 9 LYS CE C -5.657 9.538 0.536 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 6 . 1011 . 1 1 9 LYS CG C -5.182 7.507 -0.881 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 6 . 1012 . 1 1 9 LYS H H -3.499 4.749 -0.259 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 6 . 1013 . 1 1 9 LYS HA H -3.473 6.514 -2.335 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 6 . 1014 . 1 1 9 LYS HB2 H -3.855 6.627 0.575 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 6 . 1015 . 1 1 9 LYS HB3 H -3.270 8.133 -0.102 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 6 . 1016 . 1 1 9 LYS HD2 H -7.111 8.079 -0.103 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 6 . 1017 . 1 1 9 LYS HD3 H -5.998 7.488 1.116 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 6 . 1018 . 1 1 9 LYS HE2 H -4.842 9.844 -0.120 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 6 . 1019 . 1 1 9 LYS HE3 H -6.491 10.213 0.345 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 6 . 1020 . 1 1 9 LYS HG2 H -5.114 8.205 -1.715 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 6 . 1021 . 1 1 9 LYS HG3 H -5.635 6.594 -1.266 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 6 . 1022 . 1 1 9 LYS HZ1 H -6.039 9.722 2.535 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 6 . 1023 . 1 1 9 LYS HZ2 H -4.703 8.844 2.205 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 6 . 1024 . 1 1 9 LYS HZ3 H -4.667 10.470 2.062 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 6 . 1025 . 1 1 9 LYS N N -2.927 5.009 -1.036 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 6 . 1026 . 1 1 9 LYS NZ N -5.232 9.653 1.949 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 6 . 1027 . 1 1 9 LYS O O -1.246 7.715 -2.450 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 6 . 1028 . 1 1 10 ALA C C 1.205 6.940 -2.137 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 6 . 1029 . 1 1 10 ALA CA C 0.731 6.883 -0.683 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 6 . 1030 . 1 1 10 ALA CB C 1.564 5.918 0.164 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 6 . 1031 . 1 1 10 ALA H H -0.902 5.844 0.087 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 6 . 1032 . 1 1 10 ALA HA H 0.799 7.880 -0.248 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 6 . 1033 . 1 1 10 ALA HB1 H 2.187 5.306 -0.489 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 6 . 1034 . 1 1 10 ALA HB2 H 2.199 6.486 0.843 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 6 . 1035 . 1 1 10 ALA HB3 H 0.899 5.274 0.740 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 6 . 1036 . 1 1 10 ALA N N -0.664 6.478 -0.649 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 6 . 1037 . 1 1 10 ALA O O 1.670 7.980 -2.601 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 6 . 1038 . 1 1 11 GLY C C 1.328 4.289 -4.730 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 6 . 1039 . 1 1 11 GLY CA C 1.481 5.718 -4.206 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 6 . 1040 . 1 1 11 GLY H H 0.694 4.968 -2.429 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 6 . 1041 . 1 1 11 GLY HA2 H 0.880 6.398 -4.810 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 6 . 1042 . 1 1 11 GLY HA3 H 2.519 6.037 -4.305 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 6 . 1043 . 1 1 11 GLY N N 1.072 5.810 -2.814 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 6 . 1044 . 1 1 11 GLY O O 2.266 3.726 -5.291 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 7 . 1045 . 1 1 1 ILE C C -0.095 -5.439 -2.089 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 7 . 1046 . 1 1 1 ILE CA C 0.988 -5.605 -3.156 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 7 . 1047 . 1 1 1 ILE CB C 2.371 -5.925 -2.584 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 7 . 1048 . 1 1 1 ILE CD1 C 3.708 -3.831 -3.015 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 7 . 1049 . 1 1 1 ILE CG1 C 3.475 -5.285 -3.428 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 7 . 1050 . 1 1 1 ILE CG2 C 2.566 -7.435 -2.434 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 7 . 1051 . 1 1 1 ILE H1 H 0.151 -4.032 -4.234 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 7 . 1052 . 1 1 1 ILE HA H 0.709 -6.435 -3.806 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 7 . 1053 . 1 1 1 ILE HB H 2.436 -5.492 -1.586 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 7 . 1054 . 1 1 1 ILE HD11 H 3.500 -3.175 -3.860 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 7 . 1055 . 1 1 1 ILE HD12 H 3.045 -3.577 -2.187 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 7 . 1056 . 1 1 1 ILE HD13 H 4.744 -3.703 -2.702 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 7 . 1057 . 1 1 1 ILE HG12 H 4.399 -5.852 -3.315 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 7 . 1058 . 1 1 1 ILE HG13 H 3.202 -5.328 -4.483 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 7 . 1059 . 1 1 1 ILE HG21 H 2.498 -7.708 -1.381 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 7 . 1060 . 1 1 1 ILE HG22 H 1.793 -7.959 -2.996 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 7 . 1061 . 1 1 1 ILE HG23 H 3.547 -7.714 -2.819 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 7 . 1062 . 1 1 1 ILE N N 1.042 -4.408 -3.977 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 7 . 1063 . 1 1 1 ILE O O -0.559 -4.328 -1.837 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 7 . 1064 . 1 1 2 ASN C C -1.089 -5.563 0.641 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 7 . 1065 . 1 1 2 ASN CA C -1.488 -6.554 -0.455 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 7 . 1066 . 1 1 2 ASN CB C -1.632 -7.935 0.186 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 7 . 1067 . 1 1 2 ASN CG C -0.551 -8.164 1.245 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 7 . 1068 . 1 1 2 ASN H H -0.085 -7.461 -1.699 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 7 . 1069 . 1 1 2 ASN HA H -2.408 -6.266 -0.962 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 7 . 1070 . 1 1 2 ASN HB2 H -2.617 -8.027 0.643 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1071 . 1 1 2 ASN HB3 H -1.563 -8.706 -0.582 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1072 . 1 1 2 ASN HD21 H 0.832 -8.159 -0.235 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 7 . 1073 . 1 1 2 ASN HD22 H 1.457 -8.396 1.363 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 7 . 1074 . 1 1 2 ASN N N -0.467 -6.561 -1.489 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 7 . 1075 . 1 1 2 ASN ND2 N 0.681 -8.247 0.750 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 7 . 1076 . 1 1 2 ASN O O -1.920 -4.789 1.115 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 7 . 1077 . 1 1 2 ASN OD1 O -0.817 -8.260 2.431 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 7 . 1078 . 1 1 3 TYR C C 0.767 -3.292 1.546 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 7 . 1079 . 1 1 3 TYR CA C 0.699 -4.737 2.044 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 7 . 1080 . 1 1 3 TYR CB C 2.117 -5.227 2.345 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 7 . 1081 . 1 1 3 TYR CD1 C 2.878 -3.749 4.241 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 7 . 1082 . 1 1 3 TYR CD2 C 4.022 -3.587 2.148 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 7 . 1083 . 1 1 3 TYR CE1 C 3.743 -2.738 4.791 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 7 . 1084 . 1 1 3 TYR CE2 C 4.887 -2.576 2.698 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 7 . 1085 . 1 1 3 TYR CG C 3.036 -4.153 2.930 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 7 . 1086 . 1 1 3 TYR CZ C 4.705 -2.201 3.993 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 7 . 1087 . 1 1 3 TYR H H 0.850 -6.252 0.623 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 7 . 1088 . 1 1 3 TYR HA H 0.026 -4.788 2.900 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 7 . 1089 . 1 1 3 TYR HB2 H 2.062 -6.062 3.043 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1090 . 1 1 3 TYR HB3 H 2.561 -5.609 1.426 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1091 . 1 1 3 TYR HD1 H 2.100 -4.196 4.859 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 7 . 1092 . 1 1 3 TYR HD2 H 4.146 -3.906 1.113 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 7 . 1093 . 1 1 3 TYR HE1 H 3.630 -2.410 5.825 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 7 . 1094 . 1 1 3 TYR HE2 H 5.669 -2.121 2.091 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 7 . 1095 . 1 1 3 TYR HH H 5.979 -1.595 5.331 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 7 . 1096 . 1 1 3 TYR N N 0.181 -5.620 1.013 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 7 . 1097 . 1 1 3 TYR O O 0.774 -2.356 2.344 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 7 . 1098 . 1 1 3 TYR OH O 5.521 -1.246 4.513 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 7 . 1099 . 1 1 4 TRP C C -0.363 -1.057 0.038 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 7 . 1100 . 1 1 4 TRP CA C 0.882 -1.840 -0.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 7 . 1101 . 1 1 4 TRP CB C 1.030 -1.951 -1.904 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 7 . 1102 . 1 1 4 TRP CD1 C 2.207 -0.293 -3.493 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 7 . 1103 . 1 1 4 TRP CD2 C 3.577 -1.204 -2.009 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 7 . 1104 . 1 1 4 TRP CE2 C 4.325 -0.347 -2.789 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 7 . 1105 . 1 1 4 TRP CE3 C 4.161 -1.943 -0.965 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 7 . 1106 . 1 1 4 TRP CG C 2.211 -1.162 -2.473 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 7 . 1107 . 1 1 4 TRP CH2 C 6.302 -0.873 -1.574 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 7 . 1108 . 1 1 4 TRP CZ2 C 5.699 -0.147 -2.608 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 7 . 1109 . 1 1 4 TRP CZ3 C 5.535 -1.733 -0.797 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 7 . 1110 . 1 1 4 TRP H H 0.809 -3.922 -0.413 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 7 . 1111 . 1 1 4 TRP HA H 1.779 -1.344 -0.014 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 7 . 1112 . 1 1 4 TRP HB2 H 1.146 -3.001 -2.172 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1113 . 1 1 4 TRP HB3 H 0.112 -1.601 -2.375 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1114 . 1 1 4 TRP HD1 H 1.322 -0.029 -4.071 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 7 . 1115 . 1 1 4 TRP HE1 H 3.737 0.949 -4.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 7 . 1116 . 1 1 4 TRP HE3 H 3.592 -2.627 -0.335 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 7 . 1117 . 1 1 4 TRP HH2 H 7.369 -0.764 -1.378 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 7 . 1118 . 1 1 4 TRP HZ2 H 6.268 0.536 -3.238 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 7 . 1119 . 1 1 4 TRP HZ3 H 6.037 -2.281 -0.001 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 7 . 1120 . 1 1 4 TRP N N 0.815 -3.156 0.229 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 7 . 1121 . 1 1 4 TRP NE1 N 3.466 0.225 -3.721 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 7 . 1122 . 1 1 4 TRP O O -0.388 0.170 -0.049 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 7 . 1123 . 1 1 5 LEU C C -2.309 -0.140 1.998 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 7 . 1124 . 1 1 5 LEU CA C -2.609 -1.188 0.925 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 7 . 1125 . 1 1 5 LEU CB C -3.602 -2.262 1.375 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 7 . 1126 . 1 1 5 LEU CD1 C -3.627 -3.216 -0.959 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 7 . 1127 . 1 1 5 LEU CD2 C -5.232 -4.097 0.797 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 7 . 1128 . 1 1 5 LEU CG C -4.467 -2.879 0.275 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 7 . 1129 . 1 1 5 LEU H H -1.336 -2.795 0.556 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 7 . 1130 . 1 1 5 LEU HA H -3.047 -0.685 0.063 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 7 . 1131 . 1 1 5 LEU HB2 H -3.046 -3.061 1.865 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1132 . 1 1 5 LEU HB3 H -4.261 -1.826 2.127 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1133 . 1 1 5 LEU HD11 H -3.136 -2.313 -1.322 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 7 . 1134 . 1 1 5 LEU HD12 H -2.873 -3.957 -0.693 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 7 . 1135 . 1 1 5 LEU HD13 H -4.272 -3.618 -1.740 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 7 . 1136 . 1 1 5 LEU HD21 H -4.715 -4.506 1.665 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 7 . 1137 . 1 1 5 LEU HD22 H -6.241 -3.797 1.082 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 7 . 1138 . 1 1 5 LEU HD23 H -5.286 -4.855 0.015 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 7 . 1139 . 1 1 5 LEU HG H -5.208 -2.141 -0.032 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 7 . 1140 . 1 1 5 LEU N N -1.365 -1.798 0.488 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 7 . 1141 . 1 1 5 LEU O O -3.088 0.791 2.197 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 7 . 1142 . 1 1 6 ALA C C -0.199 1.865 3.072 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 7 . 1143 . 1 1 6 ALA CA C -0.764 0.594 3.708 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 7 . 1144 . 1 1 6 ALA CB C 0.247 -0.098 4.625 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 7 . 1145 . 1 1 6 ALA H H -0.548 -1.084 2.493 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 7 . 1146 . 1 1 6 ALA HA H -1.648 0.851 4.292 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 7 . 1147 . 1 1 6 ALA HB1 H 1.217 0.390 4.529 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 7 . 1148 . 1 1 6 ALA HB2 H -0.093 -0.031 5.658 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1149 . 1 1 6 ALA HB3 H 0.338 -1.146 4.340 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1150 . 1 1 6 ALA N N -1.177 -0.325 2.661 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 7 . 1151 . 1 1 6 ALA O O -0.102 2.901 3.727 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 7 . 1152 . 1 1 7 HIS C C -0.179 3.187 -0.135 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 7 . 1153 . 1 1 7 HIS CA C 0.710 2.872 1.069 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 7 . 1154 . 1 1 7 HIS CB C 2.165 2.605 0.678 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 7 . 1155 . 1 1 7 HIS CD2 C 3.560 1.252 2.426 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 7 . 1156 . 1 1 7 HIS CE1 C 4.394 2.943 3.536 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 7 . 1157 . 1 1 7 HIS CG C 3.090 2.397 1.854 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 7 . 1158 . 1 1 7 HIS H H 0.076 0.898 1.275 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 7 . 1159 . 1 1 7 HIS HA H 0.700 3.723 1.750 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 7 . 1160 . 1 1 7 HIS HB2 H 2.203 1.722 0.039 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1161 . 1 1 7 HIS HB3 H 2.531 3.443 0.085 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1162 . 1 1 7 HIS HD1 H 3.475 4.418 2.401 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 7 . 1163 . 1 1 7 HIS HD2 H 3.328 0.237 2.104 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 7 . 1164 . 1 1 7 HIS HE1 H 4.958 3.516 4.272 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 7 . 1165 . 1 1 7 HIS HE2 H 4.784 0.942 4.072 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 7 . 1166 . 1 1 7 HIS N N 0.158 1.745 1.802 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 7 . 1167 . 1 1 7 HIS ND1 N 3.632 3.446 2.575 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 7 . 1168 . 1 1 7 HIS NE2 N 4.349 1.584 3.441 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 7 . 1169 . 1 1 7 HIS O O 0.243 3.880 -1.059 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 7 . 1170 . 1 1 8 ALA C C -2.350 4.361 -1.543 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 7 . 1171 . 1 1 8 ALA CA C -2.348 2.880 -1.160 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 7 . 1172 . 1 1 8 ALA CB C -3.730 2.388 -0.724 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 7 . 1173 . 1 1 8 ALA H H -1.731 2.100 0.670 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 7 . 1174 . 1 1 8 ALA HA H -2.021 2.292 -2.018 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 7 . 1175 . 1 1 8 ALA HB1 H -3.801 2.421 0.363 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 7 . 1176 . 1 1 8 ALA HB2 H -4.497 3.029 -1.159 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1177 . 1 1 8 ALA HB3 H -3.876 1.364 -1.067 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1178 . 1 1 8 ALA N N -1.395 2.663 -0.085 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 7 . 1179 . 1 1 8 ALA O O -1.719 4.753 -2.523 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 7 . 1180 . 1 1 9 LYS C C -1.801 7.094 -1.467 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 7 . 1181 . 1 1 9 LYS CA C -3.159 6.573 -0.993 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 7 . 1182 . 1 1 9 LYS CB C -3.697 7.294 0.245 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 7 . 1183 . 1 1 9 LYS CD C -5.587 8.824 -0.420 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 7 . 1184 . 1 1 9 LYS CE C -6.093 9.770 0.670 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 7 . 1185 . 1 1 9 LYS CG C -5.215 7.461 0.166 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 7 . 1186 . 1 1 9 LYS H H -3.577 4.816 0.046 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 7 . 1187 . 1 1 9 LYS HA H -3.885 6.722 -1.793 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 7 . 1188 . 1 1 9 LYS HB2 H -3.435 6.730 1.141 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1189 . 1 1 9 LYS HB3 H -3.224 8.271 0.335 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1190 . 1 1 9 LYS HD2 H -4.719 9.262 -0.912 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 7 . 1191 . 1 1 9 LYS HD3 H -6.356 8.698 -1.183 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 7 . 1192 . 1 1 9 LYS HE2 H -7.178 9.696 0.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 7 . 1193 . 1 1 9 LYS HE3 H -5.682 9.475 1.636 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 7 . 1194 . 1 1 9 LYS HG2 H -5.641 6.668 -0.449 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 7 . 1195 . 1 1 9 LYS HG3 H -5.648 7.359 1.161 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 7 . 1196 . 1 1 9 LYS HZ1 H -4.717 11.268 0.470 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 7 . 1197 . 1 1 9 LYS HZ2 H -5.967 11.387 -0.574 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 7 . 1198 . 1 1 9 LYS HZ3 H -6.174 11.787 0.995 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 7 . 1199 . 1 1 9 LYS N N -3.067 5.143 -0.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 7 . 1200 . 1 1 9 LYS NZ N -5.706 11.166 0.366 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 7 . 1201 . 1 1 9 LYS O O -1.725 7.847 -2.437 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 7 . 1202 . 1 1 10 ALA C C 0.754 7.087 -2.619 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 7 . 1203 . 1 1 10 ALA CA C 0.589 7.087 -1.098 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 7 . 1204 . 1 1 10 ALA CB C 1.594 6.166 -0.403 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 7 . 1205 . 1 1 10 ALA H H -0.833 6.060 0.026 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 7 . 1206 . 1 1 10 ALA HA H 0.727 8.102 -0.726 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 7 . 1207 . 1 1 10 ALA HB1 H 2.396 6.764 0.030 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 7 . 1208 . 1 1 10 ALA HB2 H 1.090 5.609 0.387 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 7 . 1209 . 1 1 10 ALA HB3 H 2.011 5.469 -1.129 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 7 . 1210 . 1 1 10 ALA N N -0.762 6.672 -0.761 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 7 . 1211 . 1 1 10 ALA O O 0.945 8.139 -3.226 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 7 . 1212 . 1 1 11 GLY C C -0.419 5.062 -5.230 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 7 . 1213 . 1 1 11 GLY CA C 0.812 5.744 -4.629 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 7 . 1214 . 1 1 11 GLY H H 0.519 5.043 -2.690 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 7 . 1215 . 1 1 11 GLY HA2 H 0.951 6.722 -5.090 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 7 . 1216 . 1 1 11 GLY HA3 H 1.703 5.157 -4.853 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 7 . 1217 . 1 1 11 GLY N N 0.674 5.894 -3.191 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 7 . 1218 . 1 1 11 GLY O O -0.902 5.465 -6.286 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 8 . 1219 . 1 1 1 ILE C C -0.317 -5.640 -1.796 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 8 . 1220 . 1 1 1 ILE CA C 0.671 -5.958 -2.920 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 8 . 1221 . 1 1 1 ILE CB C 2.085 -6.270 -2.426 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 8 . 1222 . 1 1 1 ILE CD1 C 3.649 -4.408 -3.094 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 8 . 1223 . 1 1 1 ILE CG1 C 3.134 -5.807 -3.439 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 8 . 1224 . 1 1 1 ILE CG2 C 2.232 -7.754 -2.087 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 8 . 1225 . 1 1 1 ILE H1 H 0.435 -5.094 -4.801 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 8 . 1226 . 1 1 1 ILE HA H 0.314 -6.838 -3.455 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 8 . 1227 . 1 1 1 ILE HB H 2.256 -5.711 -1.507 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 8 . 1228 . 1 1 1 ILE HD11 H 2.823 -3.699 -3.124 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 8 . 1229 . 1 1 1 ILE HD12 H 4.084 -4.418 -2.095 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 8 . 1230 . 1 1 1 ILE HD13 H 4.409 -4.112 -3.818 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 8 . 1231 . 1 1 1 ILE HG12 H 3.965 -6.511 -3.454 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 8 . 1232 . 1 1 1 ILE HG13 H 2.701 -5.802 -4.440 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 8 . 1233 . 1 1 1 ILE HG21 H 2.426 -7.865 -1.020 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 8 . 1234 . 1 1 1 ILE HG22 H 1.312 -8.279 -2.345 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 8 . 1235 . 1 1 1 ILE HG23 H 3.062 -8.176 -2.653 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 8 . 1236 . 1 1 1 ILE N N 0.693 -4.854 -3.865 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 8 . 1237 . 1 1 1 ILE O O -0.641 -4.478 -1.559 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 8 . 1238 . 1 1 2 ASN C C -1.185 -5.496 0.944 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 8 . 1239 . 1 1 2 ASN CA C -1.713 -6.543 -0.039 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 8 . 1240 . 1 1 2 ASN CB C -1.890 -7.859 0.722 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 8 . 1241 . 1 1 2 ASN CG C -0.735 -8.087 1.699 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 8 . 1242 . 1 1 2 ASN H H -0.500 -7.638 -1.331 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 8 . 1243 . 1 1 2 ASN HA H -2.649 -6.240 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 8 . 1244 . 1 1 2 ASN HB2 H -2.834 -7.843 1.267 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1245 . 1 1 2 ASN HB3 H -1.944 -8.687 0.016 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1246 . 1 1 2 ASN HD21 H 0.509 -8.267 0.111 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 8 . 1247 . 1 1 2 ASN HD22 H 1.259 -8.438 1.663 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 8 . 1248 . 1 1 2 ASN N N -0.769 -6.695 -1.133 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 8 . 1249 . 1 1 2 ASN ND2 N 0.441 -8.280 1.109 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 8 . 1250 . 1 1 2 ASN O O -1.936 -4.638 1.405 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 8 . 1251 . 1 1 2 ASN OD1 O -0.900 -8.089 2.907 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 8 . 1252 . 1 1 3 TYR C C 0.869 -3.283 1.529 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 8 . 1253 . 1 1 3 TYR CA C 0.740 -4.673 2.154 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 8 . 1254 . 1 1 3 TYR CB C 2.140 -5.233 2.415 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 8 . 1255 . 1 1 3 TYR CD1 C 2.974 -3.583 4.130 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 8 . 1256 . 1 1 3 TYR CD2 C 4.229 -3.854 2.113 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 8 . 1257 . 1 1 3 TYR CE1 C 3.922 -2.601 4.588 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 8 . 1258 . 1 1 3 TYR CE2 C 5.177 -2.872 2.572 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 8 . 1259 . 1 1 3 TYR CG C 3.147 -4.190 2.902 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 8 . 1260 . 1 1 3 TYR CZ C 4.977 -2.294 3.786 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 8 . 1261 . 1 1 3 TYR H H 0.707 -6.301 0.855 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 8 . 1262 . 1 1 3 TYR HA H 0.120 -4.606 3.047 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 8 . 1263 . 1 1 3 TYR HB2 H 2.069 -6.029 3.158 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1264 . 1 1 3 TYR HB3 H 2.516 -5.686 1.498 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1265 . 1 1 3 TYR HD1 H 2.119 -3.848 4.753 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 8 . 1266 . 1 1 3 TYR HD2 H 4.366 -4.333 1.144 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 8 . 1267 . 1 1 3 TYR HE1 H 3.797 -2.115 5.555 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 8 . 1268 . 1 1 3 TYR HE2 H 6.035 -2.598 1.959 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 8 . 1269 . 1 1 3 TYR HH H 6.802 -1.719 4.126 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 8 . 1270 . 1 1 3 TYR N N 0.103 -5.601 1.235 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 8 . 1271 . 1 1 3 TYR O O 0.992 -2.287 2.240 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 8 . 1272 . 1 1 3 TYR OH O 5.872 -1.366 4.219 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 8 . 1273 . 1 1 4 TRP C C -0.163 -1.076 -0.038 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 8 . 1274 . 1 1 4 TRP CA C 0.948 -2.007 -0.525 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 8 . 1275 . 1 1 4 TRP CB C 0.909 -2.247 -2.035 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 8 . 1276 . 1 1 4 TRP CD1 C 1.701 -0.573 -3.833 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 8 . 1277 . 1 1 4 TRP CD2 C 3.359 -1.408 -2.624 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 8 . 1278 . 1 1 4 TRP CE2 C 3.913 -0.537 -3.539 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 8 . 1279 . 1 1 4 TRP CE3 C 4.157 -2.108 -1.702 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 8 . 1280 . 1 1 4 TRP CG C 1.930 -1.424 -2.823 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 8 . 1281 . 1 1 4 TRP CH2 C 6.102 -0.969 -2.712 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 8 . 1282 . 1 1 4 TRP CZ2 C 5.288 -0.283 -3.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 8 . 1283 . 1 1 4 TRP CZ3 C 5.529 -1.844 -1.797 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 8 . 1284 . 1 1 4 TRP H H 0.737 -4.074 -0.367 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 8 . 1285 . 1 1 4 TRP HA H 1.923 -1.575 -0.298 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 8 . 1286 . 1 1 4 TRP HB2 H 1.083 -3.306 -2.230 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1287 . 1 1 4 TRP HB3 H -0.091 -2.016 -2.404 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1288 . 1 1 4 TRP HD1 H 0.713 -0.352 -4.237 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 8 . 1289 . 1 1 4 TRP HE1 H 2.966 0.709 -5.109 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 8 . 1290 . 1 1 4 TRP HE3 H 3.743 -2.802 -0.970 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 8 . 1291 . 1 1 4 TRP HH2 H 7.182 -0.817 -2.722 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 8 . 1292 . 1 1 4 TRP HZ2 H 5.701 0.411 -4.353 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 8 . 1293 . 1 1 4 TRP HZ3 H 6.193 -2.360 -1.104 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 8 . 1294 . 1 1 4 TRP N N 0.837 -3.259 0.204 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 8 . 1295 . 1 1 4 TRP NE1 N 2.873 -0.012 -4.297 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 8 . 1296 . 1 1 4 TRP O O -0.022 0.145 -0.089 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 8 . 1297 . 1 1 5 LEU C C -1.908 0.031 2.013 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 8 . 1298 . 1 1 5 LEU CA C -2.380 -0.928 0.919 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 8 . 1299 . 1 1 5 LEU CB C -3.500 -1.870 1.366 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 8 . 1300 . 1 1 5 LEU CD1 C -4.874 -1.638 -0.735 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 8 . 1301 . 1 1 5 LEU CD2 C -5.936 -2.521 1.393 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 8 . 1302 . 1 1 5 LEU CG C -4.889 -1.580 0.794 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 8 . 1303 . 1 1 5 LEU H H -1.351 -2.681 0.461 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 8 . 1304 . 1 1 5 LEU HA H -2.767 -0.340 0.087 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 8 . 1305 . 1 1 5 LEU HB2 H -3.222 -2.888 1.095 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1306 . 1 1 5 LEU HB3 H -3.562 -1.836 2.454 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1307 . 1 1 5 LEU HD11 H -5.283 -2.593 -1.066 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 8 . 1308 . 1 1 5 LEU HD12 H -5.480 -0.825 -1.135 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 8 . 1309 . 1 1 5 LEU HD13 H -3.849 -1.538 -1.093 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 8 . 1310 . 1 1 5 LEU HD21 H -6.116 -3.349 0.707 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 8 . 1311 . 1 1 5 LEU HD22 H -5.573 -2.910 2.344 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 8 . 1312 . 1 1 5 LEU HD23 H -6.865 -1.974 1.555 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 8 . 1313 . 1 1 5 LEU HG H -5.169 -0.565 1.075 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 8 . 1314 . 1 1 5 LEU N N -1.244 -1.688 0.423 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 8 . 1315 . 1 1 5 LEU O O -2.569 1.029 2.297 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 8 . 1316 . 1 1 6 ALA C C 0.463 1.746 3.041 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 8 . 1317 . 1 1 6 ALA CA C -0.200 0.513 3.657 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 8 . 1318 . 1 1 6 ALA CB C 0.779 -0.325 4.481 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 8 . 1319 . 1 1 6 ALA H H -0.237 -1.120 2.363 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 8 . 1320 . 1 1 6 ALA HA H -1.017 0.834 4.303 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 8 . 1321 . 1 1 6 ALA HB1 H 1.801 -0.038 4.234 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 8 . 1322 . 1 1 6 ALA HB2 H 0.600 -0.153 5.543 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1323 . 1 1 6 ALA HB3 H 0.634 -1.382 4.255 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1324 . 1 1 6 ALA N N -0.768 -0.306 2.599 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 8 . 1325 . 1 1 6 ALA O O 0.693 2.740 3.727 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 8 . 1326 . 1 1 7 HIS C C 0.590 3.044 -0.235 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 8 . 1327 . 1 1 7 HIS CA C 1.385 2.735 1.035 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 8 . 1328 . 1 1 7 HIS CB C 2.856 2.422 0.753 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 8 . 1329 . 1 1 7 HIS CD2 C 4.191 1.147 2.603 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 8 . 1330 . 1 1 7 HIS CE1 C 4.841 2.881 3.769 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 8 . 1331 . 1 1 7 HIS CG C 3.700 2.265 1.995 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 8 . 1332 . 1 1 7 HIS H H 0.563 0.829 1.200 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 8 . 1333 . 1 1 7 HIS HA H 1.351 3.602 1.695 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 8 . 1334 . 1 1 7 HIS HB2 H 2.915 1.505 0.167 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1335 . 1 1 7 HIS HB3 H 3.275 3.219 0.140 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1336 . 1 1 7 HIS HD1 H 3.927 4.304 2.567 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 8 . 1337 . 1 1 7 HIS HD2 H 4.042 0.121 2.267 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 8 . 1338 . 1 1 7 HIS HE1 H 5.314 3.483 4.545 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 8 . 1339 . 1 1 7 HIS HE2 H 5.304 0.904 4.338 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 8 . 1340 . 1 1 7 HIS N N 0.753 1.641 1.752 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 8 . 1341 . 1 1 7 HIS ND1 N 4.125 3.342 2.754 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 8 . 1342 . 1 1 7 HIS NE2 N 4.881 1.521 3.674 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 8 . 1343 . 1 1 7 HIS O O 1.097 3.698 -1.145 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 8 . 1344 . 1 1 8 ALA C C -1.765 4.276 -1.566 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 8 . 1345 . 1 1 8 ALA CA C -1.513 2.776 -1.399 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 8 . 1346 . 1 1 8 ALA CB C -2.809 1.985 -1.212 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 8 . 1347 . 1 1 8 ALA H H -1.048 2.030 0.489 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 8 . 1348 . 1 1 8 ALA HA H -0.997 2.402 -2.283 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 8 . 1349 . 1 1 8 ALA HB1 H -2.634 0.938 -1.461 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 8 . 1350 . 1 1 8 ALA HB2 H -3.135 2.062 -0.175 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1351 . 1 1 8 ALA HB3 H -3.580 2.390 -1.866 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1352 . 1 1 8 ALA N N -0.643 2.560 -0.255 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 8 . 1353 . 1 1 8 ALA O O -1.096 4.937 -2.359 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 8 . 1354 . 1 1 9 LYS C C -1.805 7.010 -1.018 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 8 . 1355 . 1 1 9 LYS CA C -3.081 6.179 -0.861 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 8 . 1356 . 1 1 9 LYS CB C -3.922 6.570 0.356 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 8 . 1357 . 1 1 9 LYS CD C -6.057 7.888 0.103 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 8 . 1358 . 1 1 9 LYS CE C -6.245 8.476 -1.297 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 8 . 1359 . 1 1 9 LYS CG C -5.417 6.501 0.034 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 8 . 1360 . 1 1 9 LYS H H -3.271 4.225 -0.164 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 8 . 1361 . 1 1 9 LYS HA H -3.702 6.328 -1.744 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 8 . 1362 . 1 1 9 LYS HB2 H -3.695 5.905 1.189 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1363 . 1 1 9 LYS HB3 H -3.662 7.579 0.674 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1364 . 1 1 9 LYS HD2 H -7.022 7.823 0.606 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 8 . 1365 . 1 1 9 LYS HD3 H -5.431 8.553 0.699 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 8 . 1366 . 1 1 9 LYS HE2 H -6.131 9.559 -1.262 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 8 . 1367 . 1 1 9 LYS HE3 H -5.472 8.096 -1.964 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 8 . 1368 . 1 1 9 LYS HG2 H -5.558 6.080 -0.962 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 8 . 1369 . 1 1 9 LYS HG3 H -5.913 5.831 0.736 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 8 . 1370 . 1 1 9 LYS HZ1 H -7.588 7.171 -2.117 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 8 . 1371 . 1 1 9 LYS HZ2 H -8.271 8.268 -1.118 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 8 . 1372 . 1 1 9 LYS HZ3 H -7.790 8.713 -2.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 8 . 1373 . 1 1 9 LYS N N -2.732 4.770 -0.806 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 8 . 1374 . 1 1 9 LYS NZ N -7.582 8.129 -1.830 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 8 . 1375 . 1 1 9 LYS O O -1.756 7.929 -1.834 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 8 . 1376 . 1 1 10 ALA C C 0.826 7.668 -1.720 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 8 . 1377 . 1 1 10 ALA CA C 0.467 7.358 -0.266 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 8 . 1378 . 1 1 10 ALA CB C 1.537 6.517 0.433 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 8 . 1379 . 1 1 10 ALA H H -0.854 5.908 0.437 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 8 . 1380 . 1 1 10 ALA HA H 0.346 8.295 0.278 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 8 . 1381 . 1 1 10 ALA HB1 H 1.359 6.523 1.508 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 8 . 1382 . 1 1 10 ALA HB2 H 1.492 5.492 0.063 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 8 . 1383 . 1 1 10 ALA HB3 H 2.521 6.936 0.225 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 8 . 1384 . 1 1 10 ALA N N -0.805 6.657 -0.224 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 8 . 1385 . 1 1 10 ALA O O 1.119 6.761 -2.498 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 8 . 1386 . 1 1 11 GLY C C 2.536 8.992 -3.777 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 8 . 1387 . 1 1 11 GLY CA C 1.111 9.393 -3.391 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 8 . 1388 . 1 1 11 GLY H H 0.553 9.684 -1.405 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 8 . 1389 . 1 1 11 GLY HA2 H 0.403 8.958 -4.097 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 8 . 1390 . 1 1 11 GLY HA3 H 1.003 10.476 -3.459 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 8 . 1391 . 1 1 11 GLY N N 0.792 8.952 -2.044 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 8 . 1392 . 1 1 11 GLY O O 2.885 8.986 -4.956 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 9 . 1393 . 1 1 1 ILE C C 0.063 -7.573 -2.267 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 9 . 1394 . 1 1 1 ILE CA C 1.395 -7.918 -2.937 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 9 . 1395 . 1 1 1 ILE CB C 2.319 -6.714 -3.124 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 9 . 1396 . 1 1 1 ILE CD1 C 3.669 -5.132 -1.698 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 9 . 1397 . 1 1 1 ILE CG1 C 3.307 -6.594 -1.961 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 9 . 1398 . 1 1 1 ILE CG2 C 1.512 -5.429 -3.325 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 9 . 1399 . 1 1 1 ILE H1 H 0.171 -8.658 -4.451 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 9 . 1400 . 1 1 1 ILE HA H 1.923 -8.635 -2.308 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 9 . 1401 . 1 1 1 ILE HB H 2.905 -6.871 -4.030 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 9 . 1402 . 1 1 1 ILE HD11 H 4.504 -5.084 -0.999 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 9 . 1403 . 1 1 1 ILE HD12 H 3.951 -4.652 -2.635 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 9 . 1404 . 1 1 1 ILE HD13 H 2.809 -4.616 -1.271 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 9 . 1405 . 1 1 1 ILE HG12 H 2.871 -7.033 -1.064 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 9 . 1406 . 1 1 1 ILE HG13 H 4.210 -7.161 -2.187 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 9 . 1407 . 1 1 1 ILE HG21 H 1.090 -5.112 -2.371 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 9 . 1408 . 1 1 1 ILE HG22 H 2.165 -4.647 -3.711 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 9 . 1409 . 1 1 1 ILE HG23 H 0.707 -5.614 -4.035 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 9 . 1410 . 1 1 1 ILE N N 1.137 -8.565 -4.212 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 9 . 1411 . 1 1 1 ILE O O -0.997 -7.984 -2.737 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 9 . 1412 . 1 1 2 ASN C C -0.657 -5.279 0.514 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 9 . 1413 . 1 1 2 ASN CA C -1.022 -6.418 -0.440 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 9 . 1414 . 1 1 2 ASN CB C -1.573 -7.576 0.395 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 9 . 1415 . 1 1 2 ASN CG C -2.689 -7.098 1.326 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 9 . 1416 . 1 1 2 ASN H H 1.028 -6.494 -0.804 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 9 . 1417 . 1 1 2 ASN HA H -1.743 -6.113 -1.198 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 9 . 1418 . 1 1 2 ASN HB2 H -1.953 -8.356 -0.264 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1419 . 1 1 2 ASN HB3 H -0.769 -8.020 0.983 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1420 . 1 1 2 ASN HD21 H -3.298 -5.832 -0.131 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 9 . 1421 . 1 1 2 ASN HD22 H -4.229 -5.784 1.329 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 9 . 1422 . 1 1 2 ASN N N 0.161 -6.823 -1.179 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 9 . 1423 . 1 1 2 ASN ND2 N -3.470 -6.161 0.797 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 9 . 1424 . 1 1 2 ASN O O -1.394 -4.300 0.628 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 9 . 1425 . 1 1 2 ASN OD1 O -2.832 -7.551 2.450 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 9 . 1426 . 1 1 3 TYR C C 0.970 -3.053 1.472 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 9 . 1427 . 1 1 3 TYR CA C 0.950 -4.442 2.115 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 9 . 1428 . 1 1 3 TYR CB C 2.381 -4.843 2.478 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 9 . 1429 . 1 1 3 TYR CD1 C 2.832 -2.863 3.972 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 9 . 1430 . 1 1 3 TYR CD2 C 4.470 -3.439 2.329 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 9 . 1431 . 1 1 3 TYR CE1 C 3.656 -1.765 4.408 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 9 . 1432 . 1 1 3 TYR CE2 C 5.294 -2.342 2.765 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 9 . 1433 . 1 1 3 TYR CG C 3.257 -3.677 2.941 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 9 . 1434 . 1 1 3 TYR CZ C 4.846 -1.559 3.783 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 9 . 1435 . 1 1 3 TYR H H 1.072 -6.243 1.076 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 9 . 1436 . 1 1 3 TYR HA H 0.268 -4.431 2.965 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 9 . 1437 . 1 1 3 TYR HB2 H 2.348 -5.595 3.266 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1438 . 1 1 3 TYR HB3 H 2.847 -5.312 1.611 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1439 . 1 1 3 TYR HD1 H 1.874 -3.051 4.456 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 9 . 1440 . 1 1 3 TYR HD2 H 4.805 -4.082 1.515 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 9 . 1441 . 1 1 3 TYR HE1 H 3.333 -1.115 5.221 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 9 . 1442 . 1 1 3 TYR HE2 H 6.254 -2.142 2.290 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 9 . 1443 . 1 1 3 TYR HH H 5.992 -0.712 5.106 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 9 . 1444 . 1 1 3 TYR N N 0.479 -5.444 1.175 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 9 . 1445 . 1 1 3 TYR O O 0.969 -2.042 2.172 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 9 . 1446 . 1 1 3 TYR OH O 5.624 -0.522 4.195 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 9 . 1447 . 1 1 4 TRP C C -0.153 -0.938 -0.103 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 9 . 1448 . 1 1 4 TRP CA C 1.008 -1.803 -0.597 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 9 . 1449 . 1 1 4 TRP CB C 0.961 -2.063 -2.104 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 9 . 1450 . 1 1 4 TRP CD1 C 1.958 -0.539 -3.932 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 9 . 1451 . 1 1 4 TRP CD2 C 3.496 -1.492 -2.654 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 9 . 1452 . 1 1 4 TRP CE2 C 4.156 -0.711 -3.581 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 9 . 1453 . 1 1 4 TRP CE3 C 4.198 -2.235 -1.689 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 9 . 1454 . 1 1 4 TRP CG C 2.077 -1.373 -2.891 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 9 . 1455 . 1 1 4 TRP CH2 C 6.271 -1.330 -2.682 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 9 . 1456 . 1 1 4 TRP CZ2 C 5.550 -0.599 -3.634 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 9 . 1457 . 1 1 4 TRP CZ3 C 5.591 -2.112 -1.756 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 9 . 1458 . 1 1 4 TRP H H 0.989 -3.877 -0.414 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 9 . 1459 . 1 1 4 TRP HA H 1.957 -1.307 -0.391 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 9 . 1460 . 1 1 4 TRP HB2 H 1.018 -3.137 -2.279 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1461 . 1 1 4 TRP HB3 H -0.002 -1.728 -2.490 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1462 . 1 1 4 TRP HD1 H 1.007 -0.234 -4.369 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 9 . 1463 . 1 1 4 TRP HE1 H 3.375 0.567 -5.215 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 9 . 1464 . 1 1 4 TRP HE3 H 3.700 -2.859 -0.947 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 9 . 1465 . 1 1 4 TRP HH2 H 7.360 -1.287 -2.668 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 9 . 1466 . 1 1 4 TRP HZ2 H 6.048 0.025 -4.377 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 9 . 1467 . 1 1 4 TRP HZ3 H 6.184 -2.667 -1.029 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 9 . 1468 . 1 1 4 TRP N N 0.988 -3.050 0.148 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 9 . 1469 . 1 1 4 TRP NE1 N 3.191 -0.113 -4.383 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 9 . 1470 . 1 1 4 TRP O O -0.064 0.289 -0.107 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 9 . 1471 . 1 1 5 LEU C C -1.992 -0.003 1.964 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 9 . 1472 . 1 1 5 LEU CA C -2.394 -0.920 0.807 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 9 . 1473 . 1 1 5 LEU CB C -3.491 -1.923 1.170 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 9 . 1474 . 1 1 5 LEU CD1 C -4.696 -1.517 -1.008 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 9 . 1475 . 1 1 5 LEU CD2 C -5.821 -2.831 0.848 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 9 . 1476 . 1 1 5 LEU CG C -4.850 -1.700 0.503 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 9 . 1477 . 1 1 5 LEU H H -1.281 -2.610 0.311 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 9 . 1478 . 1 1 5 LEU HA H -2.777 -0.303 -0.005 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 9 . 1479 . 1 1 5 LEU HB2 H -3.141 -2.923 0.912 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1480 . 1 1 5 LEU HB3 H -3.631 -1.903 2.251 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1481 . 1 1 5 LEU HD11 H -3.968 -2.233 -1.388 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 9 . 1482 . 1 1 5 LEU HD12 H -5.658 -1.685 -1.494 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 9 . 1483 . 1 1 5 LEU HD13 H -4.354 -0.504 -1.218 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 9 . 1484 . 1 1 5 LEU HD21 H -5.258 -3.717 1.140 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 9 . 1485 . 1 1 5 LEU HD22 H -6.463 -2.520 1.673 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 9 . 1486 . 1 1 5 LEU HD23 H -6.435 -3.061 -0.023 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 9 . 1487 . 1 1 5 LEU HG H -5.277 -0.778 0.897 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 9 . 1488 . 1 1 5 LEU N N -1.216 -1.612 0.311 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 9 . 1489 . 1 1 5 LEU O O -2.724 0.922 2.311 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 9 . 1490 . 1 1 6 ALA C C 0.301 1.785 3.104 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 9 . 1491 . 1 1 6 ALA CA C -0.321 0.494 3.641 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 9 . 1492 . 1 1 6 ALA CB C 0.676 -0.342 4.446 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 9 . 1493 . 1 1 6 ALA H H -0.239 -1.047 2.242 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 9 . 1494 . 1 1 6 ALA HA H -1.165 0.747 4.282 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 9 . 1495 . 1 1 6 ALA HB1 H 1.689 -0.120 4.113 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 9 . 1496 . 1 1 6 ALA HB2 H 0.580 -0.102 5.505 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1497 . 1 1 6 ALA HB3 H 0.467 -1.401 4.293 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1498 . 1 1 6 ALA N N -0.829 -0.293 2.530 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 9 . 1499 . 1 1 6 ALA O O 0.566 2.714 3.865 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 9 . 1500 . 1 1 7 HIS C C 0.280 3.329 -0.088 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 9 . 1501 . 1 1 7 HIS CA C 1.102 2.962 1.149 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 9 . 1502 . 1 1 7 HIS CB C 2.578 2.718 0.828 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 9 . 1503 . 1 1 7 HIS CD2 C 4.004 1.395 2.575 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 9 . 1504 . 1 1 7 HIS CE1 C 4.582 3.079 3.845 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 9 . 1505 . 1 1 7 HIS CG C 3.448 2.523 2.047 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 9 . 1506 . 1 1 7 HIS H H 0.298 1.040 1.184 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 9 . 1507 . 1 1 7 HIS HA H 1.049 3.780 1.866 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 9 . 1508 . 1 1 7 HIS HB2 H 2.661 1.837 0.192 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1509 . 1 1 7 HIS HB3 H 2.959 3.562 0.254 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1510 . 1 1 7 HIS HD1 H 3.580 4.529 2.750 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 9 . 1511 . 1 1 7 HIS HD2 H 3.902 0.387 2.172 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 9 . 1512 . 1 1 7 HIS HE1 H 5.036 3.653 4.653 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 9 . 1513 . 1 1 7 HIS HE2 H 5.153 1.096 4.276 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 9 . 1514 . 1 1 7 HIS N N 0.516 1.801 1.796 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 9 . 1515 . 1 1 7 HIS ND1 N 3.830 3.568 2.870 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 9 . 1516 . 1 1 7 HIS NE2 N 4.690 1.732 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 9 . 1517 . 1 1 7 HIS O O 0.753 4.059 -0.958 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 9 . 1518 . 1 1 8 ALA C C -1.868 4.575 -1.514 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 9 . 1519 . 1 1 8 ALA CA C -1.830 3.070 -1.242 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 9 . 1520 . 1 1 8 ALA CB C -3.215 2.497 -0.935 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 9 . 1521 . 1 1 8 ALA H H -1.314 2.214 0.585 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 9 . 1522 . 1 1 8 ALA HA H -1.426 2.562 -2.118 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 9 . 1523 . 1 1 8 ALA HB1 H -3.927 2.850 -1.680 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 9 . 1524 . 1 1 8 ALA HB2 H -3.171 1.408 -0.960 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1525 . 1 1 8 ALA HB3 H -3.532 2.825 0.055 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1526 . 1 1 8 ALA N N -0.937 2.807 -0.127 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 9 . 1527 . 1 1 8 ALA O O -1.233 5.057 -2.450 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 9 . 1528 . 1 1 9 LYS C C -1.401 7.309 -1.224 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 9 . 1529 . 1 1 9 LYS CA C -2.751 6.717 -0.816 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 9 . 1530 . 1 1 9 LYS CB C -3.330 7.327 0.461 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 9 . 1531 . 1 1 9 LYS CD C -5.529 6.126 0.750 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 9 . 1532 . 1 1 9 LYS CE C -6.189 5.478 -0.469 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 9 . 1533 . 1 1 9 LYS CG C -4.853 7.445 0.371 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 9 . 1534 . 1 1 9 LYS H H -3.135 4.876 0.081 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 9 . 1535 . 1 1 9 LYS HA H -3.467 6.905 -1.617 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 9 . 1536 . 1 1 9 LYS HB2 H -3.060 6.711 1.319 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1537 . 1 1 9 LYS HB3 H -2.895 8.313 0.627 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1538 . 1 1 9 LYS HD2 H -4.791 5.444 1.173 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 9 . 1539 . 1 1 9 LYS HD3 H -6.278 6.305 1.521 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 9 . 1540 . 1 1 9 LYS HE2 H -5.581 5.656 -1.357 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 9 . 1541 . 1 1 9 LYS HE3 H -6.242 4.398 -0.331 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 9 . 1542 . 1 1 9 LYS HG2 H -5.200 8.238 1.033 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 9 . 1543 . 1 1 9 LYS HG3 H -5.140 7.727 -0.642 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 9 . 1544 . 1 1 9 LYS HZ1 H -7.496 7.020 -0.768 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 9 . 1545 . 1 1 9 LYS HZ2 H -7.944 5.633 -1.505 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 9 . 1546 . 1 1 9 LYS HZ3 H -8.123 5.794 0.110 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 9 . 1547 . 1 1 9 LYS N N -2.621 5.276 -0.678 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 9 . 1548 . 1 1 9 LYS NZ N -7.548 6.025 -0.675 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 9 . 1549 . 1 1 9 LYS O O -1.329 8.128 -2.139 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 9 . 1550 . 1 1 10 ALA C C 1.177 7.456 -2.316 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 9 . 1551 . 1 1 10 ALA CA C 0.980 7.350 -0.802 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 9 . 1552 . 1 1 10 ALA CB C 2.000 6.417 -0.146 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 9 . 1553 . 1 1 10 ALA H H -0.430 6.207 0.218 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 9 . 1554 . 1 1 10 ALA HA H 1.078 8.342 -0.361 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 9 . 1555 . 1 1 10 ALA HB1 H 2.610 5.946 -0.917 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 9 . 1556 . 1 1 10 ALA HB2 H 2.639 6.990 0.524 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 9 . 1557 . 1 1 10 ALA HB3 H 1.476 5.648 0.421 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 9 . 1558 . 1 1 10 ALA N N -0.364 6.873 -0.525 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 9 . 1559 . 1 1 10 ALA O O 0.953 6.490 -3.044 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 9 . 1560 . 1 1 11 GLY C C 1.806 10.383 -4.465 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 9 . 1561 . 1 1 11 GLY CA C 1.821 8.884 -4.159 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 9 . 1562 . 1 1 11 GLY H H 1.772 9.420 -2.146 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 9 . 1563 . 1 1 11 GLY HA2 H 2.780 8.459 -4.455 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 9 . 1564 . 1 1 11 GLY HA3 H 1.054 8.381 -4.748 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 9 . 1565 . 1 1 11 GLY N N 1.592 8.639 -2.745 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 9 . 1566 . 1 1 11 GLY O O 0.798 11.054 -4.249 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 1 . 10 . 1567 . 1 1 1 ILE C C -0.483 -5.361 -2.069 . . . 1.0 . . . . . . . . . . . . A . 1 ILE C . . . . . . . . . rr_2dx2 1 . 10 . 1568 . 1 1 1 ILE CA C 0.508 -5.372 -3.234 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CA . . . . . . . . . rr_2dx2 1 . 10 . 1569 . 1 1 1 ILE CB C 1.955 -5.625 -2.808 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CB . . . . . . . . . rr_2dx2 1 . 10 . 1570 . 1 1 1 ILE CD1 C 3.363 -3.607 -3.361 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CD1 . . . . . . . . . rr_2dx2 1 . 10 . 1571 . 1 1 1 ILE CG1 C 2.937 -5.007 -3.806 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG1 . . . . . . . . . rr_2dx2 1 . 10 . 1572 . 1 1 1 ILE CG2 C 2.213 -7.118 -2.601 . . . 1.0 . . . . . . . . . . . . A . 1 ILE CG2 . . . . . . . . . rr_2dx2 1 . 10 . 1573 . 1 1 1 ILE H1 H 0.665 -4.172 -4.930 . . . 1.0 . . . . . . . . . . . . A . 1 ILE H1 . . . . . . . . . rr_2dx2 1 . 10 . 1574 . 1 1 1 ILE HA H 0.229 -6.174 -3.918 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HA . . . . . . . . . rr_2dx2 1 . 10 . 1575 . 1 1 1 ILE HB H 2.120 -5.133 -1.849 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HB . . . . . . . . . rr_2dx2 1 . 10 . 1576 . 1 1 1 ILE HD11 H 2.854 -2.860 -3.970 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD11 . . . . . . . . . rr_2dx2 1 . 10 . 1577 . 1 1 1 ILE HD12 H 3.098 -3.462 -2.313 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD12 . . . . . . . . . rr_2dx2 1 . 10 . 1578 . 1 1 1 ILE HD13 H 4.441 -3.500 -3.481 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HD13 . . . . . . . . . rr_2dx2 1 . 10 . 1579 . 1 1 1 ILE HG12 H 3.815 -5.645 -3.901 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG12 . . . . . . . . . rr_2dx2 1 . 10 . 1580 . 1 1 1 ILE HG13 H 2.474 -4.953 -4.791 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG13 . . . . . . . . . rr_2dx2 1 . 10 . 1581 . 1 1 1 ILE HG21 H 2.346 -7.320 -1.538 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG21 . . . . . . . . . rr_2dx2 1 . 10 . 1582 . 1 1 1 ILE HG22 H 1.364 -7.689 -2.975 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG22 . . . . . . . . . rr_2dx2 1 . 10 . 1583 . 1 1 1 ILE HG23 H 3.114 -7.410 -3.141 . . . 1.0 . . . . . . . . . . . . A . 1 ILE HG23 . . . . . . . . . rr_2dx2 1 . 10 . 1584 . 1 1 1 ILE N N 0.404 -4.121 -3.966 . . . 1.0 . . . . . . . . . . . . A . 1 ILE N . . . . . . . . . rr_2dx2 1 . 10 . 1585 . 1 1 1 ILE O O -1.145 -4.354 -1.822 . . . 1.0 . . . . . . . . . . . . A . 1 ILE O . . . . . . . . . rr_2dx2 1 . 10 . 1586 . 1 1 2 ASN C C -1.025 -5.656 0.853 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2dx2 1 . 10 . 1587 . 1 1 2 ASN CA C -1.454 -6.625 -0.250 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2dx2 1 . 10 . 1588 . 1 1 2 ASN CB C -1.411 -8.043 0.324 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2dx2 1 . 10 . 1589 . 1 1 2 ASN CG C -0.216 -8.219 1.262 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2dx2 1 . 10 . 1590 . 1 1 2 ASN H H -0.013 -7.307 -1.591 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2dx2 1 . 10 . 1591 . 1 1 2 ASN HA H -2.445 -6.398 -0.643 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2dx2 1 . 10 . 1592 . 1 1 2 ASN HB2 H -2.336 -8.249 0.864 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1593 . 1 1 2 ASN HB3 H -1.350 -8.767 -0.489 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1594 . 1 1 2 ASN HD21 H 0.991 -8.273 -0.362 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2dx2 1 . 10 . 1595 . 1 1 2 ASN HD22 H 1.795 -8.434 1.163 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2dx2 1 . 10 . 1596 . 1 1 2 ASN N N -0.555 -6.493 -1.384 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2dx2 1 . 10 . 1597 . 1 1 2 ASN ND2 N 0.953 -8.317 0.636 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2dx2 1 . 10 . 1598 . 1 1 2 ASN O O -1.860 -4.976 1.446 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2dx2 1 . 10 . 1599 . 1 1 2 ASN OD1 O -0.346 -8.263 2.474 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2dx2 1 . 10 . 1600 . 1 1 3 TYR C C 0.925 -3.308 1.608 . . . 1.0 . . . . . . . . . . . . A . 3 TYR C . . . . . . . . . rr_2dx2 1 . 10 . 1601 . 1 1 3 TYR CA C 0.828 -4.748 2.115 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CA . . . . . . . . . rr_2dx2 1 . 10 . 1602 . 1 1 3 TYR CB C 2.237 -5.271 2.403 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CB . . . . . . . . . rr_2dx2 1 . 10 . 1603 . 1 1 3 TYR CD1 C 3.070 -3.805 4.278 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD1 . . . . . . . . . rr_2dx2 1 . 10 . 1604 . 1 1 3 TYR CD2 C 4.169 -3.670 2.159 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CD2 . . . . . . . . . rr_2dx2 1 . 10 . 1605 . 1 1 3 TYR CE1 C 3.967 -2.810 4.807 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE1 . . . . . . . . . rr_2dx2 1 . 10 . 1606 . 1 1 3 TYR CE2 C 5.066 -2.675 2.688 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CE2 . . . . . . . . . rr_2dx2 1 . 10 . 1607 . 1 1 3 TYR CG C 3.190 -4.214 2.965 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CG . . . . . . . . . rr_2dx2 1 . 10 . 1608 . 1 1 3 TYR CZ C 4.920 -2.294 3.986 . . . 1.0 . . . . . . . . . . . . A . 3 TYR CZ . . . . . . . . . rr_2dx2 1 . 10 . 1609 . 1 1 3 TYR H H 0.951 -6.180 0.606 . . . 1.0 . . . . . . . . . . . . A . 3 TYR H . . . . . . . . . rr_2dx2 1 . 10 . 1610 . 1 1 3 TYR HA H 0.163 -4.778 2.978 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HA . . . . . . . . . rr_2dx2 1 . 10 . 1611 . 1 1 3 TYR HB2 H 2.169 -6.097 3.111 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1612 . 1 1 3 TYR HB3 H 2.660 -5.673 1.482 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1613 . 1 1 3 TYR HD1 H 2.296 -4.235 4.914 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD1 . . . . . . . . . rr_2dx2 1 . 10 . 1614 . 1 1 3 TYR HD2 H 4.264 -3.993 1.123 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HD2 . . . . . . . . . rr_2dx2 1 . 10 . 1615 . 1 1 3 TYR HE1 H 3.883 -2.478 5.841 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE1 . . . . . . . . . rr_2dx2 1 . 10 . 1616 . 1 1 3 TYR HE2 H 5.844 -2.237 2.063 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HE2 . . . . . . . . . rr_2dx2 1 . 10 . 1617 . 1 1 3 TYR HH H 6.012 -0.700 3.770 . . . 1.0 . . . . . . . . . . . . A . 3 TYR HH . . . . . . . . . rr_2dx2 1 . 10 . 1618 . 1 1 3 TYR N N 0.278 -5.623 1.094 . . . 1.0 . . . . . . . . . . . . A . 3 TYR N . . . . . . . . . rr_2dx2 1 . 10 . 1619 . 1 1 3 TYR O O 1.074 -2.377 2.398 . . . 1.0 . . . . . . . . . . . . A . 3 TYR O . . . . . . . . . rr_2dx2 1 . 10 . 1620 . 1 1 3 TYR OH O 5.767 -1.355 4.485 . . . 1.0 . . . . . . . . . . . . A . 3 TYR OH . . . . . . . . . rr_2dx2 1 . 10 . 1621 . 1 1 4 TRP C C -0.298 -1.045 0.134 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_2dx2 1 . 10 . 1622 . 1 1 4 TRP CA C 0.913 -1.858 -0.328 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_2dx2 1 . 10 . 1623 . 1 1 4 TRP CB C 1.008 -1.978 -1.850 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_2dx2 1 . 10 . 1624 . 1 1 4 TRP CD1 C 2.033 -0.268 -3.489 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_2dx2 1 . 10 . 1625 . 1 1 4 TRP CD2 C 3.510 -1.116 -2.074 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_2dx2 1 . 10 . 1626 . 1 1 4 TRP CE2 C 4.182 -0.225 -2.886 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_2dx2 1 . 10 . 1627 . 1 1 4 TRP CE3 C 4.176 -1.828 -1.060 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_2dx2 1 . 10 . 1628 . 1 1 4 TRP CG C 2.123 -1.135 -2.472 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_2dx2 1 . 10 . 1629 . 1 1 4 TRP CH2 C 6.235 -0.662 -1.766 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_2dx2 1 . 10 . 1630 . 1 1 4 TRP CZ2 C 5.552 0.036 -2.769 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_2dx2 1 . 10 . 1631 . 1 1 4 TRP CZ3 C 5.545 -1.555 -0.956 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_2dx2 1 . 10 . 1632 . 1 1 4 TRP H H 0.717 -3.932 -0.342 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_2dx2 1 . 10 . 1633 . 1 1 4 TRP HA H 1.833 -1.382 0.011 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_2dx2 1 . 10 . 1634 . 1 1 4 TRP HB2 H 1.166 -3.023 -2.113 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1635 . 1 1 4 TRP HB3 H 0.055 -1.680 -2.288 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1636 . 1 1 4 TRP HD1 H 1.110 -0.044 -4.024 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_2dx2 1 . 10 . 1637 . 1 1 4 TRP HE1 H 3.456 1.043 -4.553 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_2dx2 1 . 10 . 1638 . 1 1 4 TRP HE3 H 3.668 -2.537 -0.406 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_2dx2 1 . 10 . 1639 . 1 1 4 TRP HH2 H 7.304 -0.505 -1.621 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_2dx2 1 . 10 . 1640 . 1 1 4 TRP HZ2 H 6.059 0.745 -3.423 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_2dx2 1 . 10 . 1641 . 1 1 4 TRP HZ3 H 6.109 -2.081 -0.186 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_2dx2 1 . 10 . 1642 . 1 1 4 TRP N N 0.837 -3.169 0.293 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_2dx2 1 . 10 . 1643 . 1 1 4 TRP NE1 N 3.255 0.307 -3.775 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_2dx2 1 . 10 . 1644 . 1 1 4 TRP O O -0.283 0.183 0.079 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_2dx2 1 . 10 . 1645 . 1 1 5 LEU C C -2.184 -0.115 2.144 . . . 1.0 . . . . . . . . . . . . A . 5 LEU C . . . . . . . . . rr_2dx2 1 . 10 . 1646 . 1 1 5 LEU CA C -2.535 -1.125 1.050 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CA . . . . . . . . . rr_2dx2 1 . 10 . 1647 . 1 1 5 LEU CB C -3.557 -2.176 1.487 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CB . . . . . . . . . rr_2dx2 1 . 10 . 1648 . 1 1 5 LEU CD1 C -4.507 -2.092 -0.848 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD1 . . . . . . . . . rr_2dx2 1 . 10 . 1649 . 1 1 5 LEU CD2 C -5.572 -3.579 0.910 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CD2 . . . . . . . . . rr_2dx2 1 . 10 . 1650 . 1 1 5 LEU CG C -4.827 -2.271 0.638 . . . 1.0 . . . . . . . . . . . . A . 5 LEU CG . . . . . . . . . rr_2dx2 1 . 10 . 1651 . 1 1 5 LEU H H -1.322 -2.763 0.620 . . . 1.0 . . . . . . . . . . . . A . 5 LEU H . . . . . . . . . rr_2dx2 1 . 10 . 1652 . 1 1 5 LEU HA H -2.968 -0.585 0.207 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HA . . . . . . . . . rr_2dx2 1 . 10 . 1653 . 1 1 5 LEU HB2 H -3.070 -3.151 1.487 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1654 . 1 1 5 LEU HB3 H -3.848 -1.965 2.516 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1655 . 1 1 5 LEU HD11 H -5.246 -2.625 -1.445 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD11 . . . . . . . . . rr_2dx2 1 . 10 . 1656 . 1 1 5 LEU HD12 H -4.532 -1.032 -1.100 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD12 . . . . . . . . . rr_2dx2 1 . 10 . 1657 . 1 1 5 LEU HD13 H -3.514 -2.491 -1.056 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD13 . . . . . . . . . rr_2dx2 1 . 10 . 1658 . 1 1 5 LEU HD21 H -6.617 -3.363 1.132 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD21 . . . . . . . . . rr_2dx2 1 . 10 . 1659 . 1 1 5 LEU HD22 H -5.513 -4.221 0.031 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD22 . . . . . . . . . rr_2dx2 1 . 10 . 1660 . 1 1 5 LEU HD23 H -5.117 -4.086 1.761 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HD23 . . . . . . . . . rr_2dx2 1 . 10 . 1661 . 1 1 5 LEU HG H -5.491 -1.456 0.924 . . . 1.0 . . . . . . . . . . . . A . 5 LEU HG . . . . . . . . . rr_2dx2 1 . 10 . 1662 . 1 1 5 LEU N N -1.318 -1.764 0.579 . . . 1.0 . . . . . . . . . . . . A . 5 LEU N . . . . . . . . . rr_2dx2 1 . 10 . 1663 . 1 1 5 LEU O O -2.930 0.835 2.379 . . . 1.0 . . . . . . . . . . . . A . 5 LEU O . . . . . . . . . rr_2dx2 1 . 10 . 1664 . 1 1 6 ALA C C 0.002 1.792 3.237 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . rr_2dx2 1 . 10 . 1665 . 1 1 6 ALA CA C -0.591 0.522 3.849 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . rr_2dx2 1 . 10 . 1666 . 1 1 6 ALA CB C 0.412 -0.225 4.730 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . rr_2dx2 1 . 10 . 1667 . 1 1 6 ALA H H -0.449 -1.130 2.588 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . rr_2dx2 1 . 10 . 1668 . 1 1 6 ALA HA H -1.457 0.790 4.454 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . rr_2dx2 1 . 10 . 1669 . 1 1 6 ALA HB1 H 0.337 0.138 5.755 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . rr_2dx2 1 . 10 . 1670 . 1 1 6 ALA HB2 H 0.193 -1.293 4.705 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1671 . 1 1 6 ALA HB3 H 1.422 -0.053 4.356 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1672 . 1 1 6 ALA N N -1.050 -0.355 2.785 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . rr_2dx2 1 . 10 . 1673 . 1 1 6 ALA O O 0.140 2.808 3.918 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . rr_2dx2 1 . 10 . 1674 . 1 1 7 HIS C C 0.077 3.125 0.003 . . . 1.0 . . . . . . . . . . . . A . 7 HIS C . . . . . . . . . rr_2dx2 1 . 10 . 1675 . 1 1 7 HIS CA C 0.913 2.823 1.248 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CA . . . . . . . . . rr_2dx2 1 . 10 . 1676 . 1 1 7 HIS CB C 2.387 2.568 0.925 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CB . . . . . . . . . rr_2dx2 1 . 10 . 1677 . 1 1 7 HIS CD2 C 3.761 1.276 2.735 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CD2 . . . . . . . . . rr_2dx2 1 . 10 . 1678 . 1 1 7 HIS CE1 C 4.454 3.000 3.890 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CE1 . . . . . . . . . rr_2dx2 1 . 10 . 1679 . 1 1 7 HIS CG C 3.262 2.399 2.144 . . . 1.0 . . . . . . . . . . . . A . 7 HIS CG . . . . . . . . . rr_2dx2 1 . 10 . 1680 . 1 1 7 HIS H H 0.222 0.865 1.413 . . . 1.0 . . . . . . . . . . . . A . 7 HIS H . . . . . . . . . rr_2dx2 1 . 10 . 1681 . 1 1 7 HIS HA H 0.864 3.677 1.924 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HA . . . . . . . . . rr_2dx2 1 . 10 . 1682 . 1 1 7 HIS HB2 H 2.463 1.672 0.309 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1683 . 1 1 7 HIS HB3 H 2.767 3.398 0.330 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1684 . 1 1 7 HIS HD1 H 3.519 4.434 2.717 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD1 . . . . . . . . . rr_2dx2 1 . 10 . 1685 . 1 1 7 HIS HD2 H 3.596 0.252 2.398 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HD2 . . . . . . . . . rr_2dx2 1 . 10 . 1686 . 1 1 7 HIS HE1 H 4.952 3.595 4.655 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE1 . . . . . . . . . rr_2dx2 1 . 10 . 1687 . 1 1 7 HIS HE2 H 4.917 1.017 4.438 . . . 1.0 . . . . . . . . . . . . A . 7 HIS HE2 . . . . . . . . . rr_2dx2 1 . 10 . 1688 . 1 1 7 HIS N N 0.338 1.694 1.959 . . . 1.0 . . . . . . . . . . . . A . 7 HIS N . . . . . . . . . rr_2dx2 1 . 10 . 1689 . 1 1 7 HIS ND1 N 3.716 3.470 2.895 . . . 1.0 . . . . . . . . . . . . A . 7 HIS ND1 . . . . . . . . . rr_2dx2 1 . 10 . 1690 . 1 1 7 HIS NE2 N 4.481 1.640 3.788 . . . 1.0 . . . . . . . . . . . . A . 7 HIS NE2 . . . . . . . . . rr_2dx2 1 . 10 . 1691 . 1 1 7 HIS O O 0.535 3.820 -0.903 . . . 1.0 . . . . . . . . . . . . A . 7 HIS O . . . . . . . . . rr_2dx2 1 . 10 . 1692 . 1 1 8 ALA C C -2.047 4.274 -1.501 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_2dx2 1 . 10 . 1693 . 1 1 8 ALA CA C -2.038 2.792 -1.122 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_2dx2 1 . 10 . 1694 . 1 1 8 ALA CB C -3.430 2.275 -0.754 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_2dx2 1 . 10 . 1695 . 1 1 8 ALA H H -1.499 2.024 0.738 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_2dx2 1 . 10 . 1696 . 1 1 8 ALA HA H -1.659 2.212 -1.964 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_2dx2 1 . 10 . 1697 . 1 1 8 ALA HB1 H -4.180 3.009 -1.049 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_2dx2 1 . 10 . 1698 . 1 1 8 ALA HB2 H -3.618 1.335 -1.274 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1699 . 1 1 8 ALA HB3 H -3.485 2.112 0.322 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1700 . 1 1 8 ALA N N -1.134 2.588 -0.003 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_2dx2 1 . 10 . 1701 . 1 1 8 ALA O O -1.395 4.676 -2.463 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_2dx2 1 . 10 . 1702 . 1 1 9 LYS C C -1.534 7.013 -1.405 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_2dx2 1 . 10 . 1703 . 1 1 9 LYS CA C -2.898 6.474 -0.969 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_2dx2 1 . 10 . 1704 . 1 1 9 LYS CB C -3.476 7.186 0.256 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_2dx2 1 . 10 . 1705 . 1 1 9 LYS CD C -5.380 8.702 -0.405 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_2dx2 1 . 10 . 1706 . 1 1 9 LYS CE C -6.890 8.800 -0.630 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_2dx2 1 . 10 . 1707 . 1 1 9 LYS CG C -4.996 7.326 0.142 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_2dx2 1 . 10 . 1708 . 1 1 9 LYS H H -3.322 4.710 0.055 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_2dx2 1 . 10 . 1709 . 1 1 9 LYS HA H -3.603 6.617 -1.787 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_2dx2 1 . 10 . 1710 . 1 1 9 LYS HB2 H -3.226 6.627 1.158 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1711 . 1 1 9 LYS HB3 H -3.023 8.172 0.356 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1712 . 1 1 9 LYS HD2 H -5.062 9.476 0.293 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_2dx2 1 . 10 . 1713 . 1 1 9 LYS HD3 H -4.856 8.884 -1.343 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_2dx2 1 . 10 . 1714 . 1 1 9 LYS HE2 H -7.111 8.723 -1.695 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_2dx2 1 . 10 . 1715 . 1 1 9 LYS HE3 H -7.392 7.967 -0.139 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_2dx2 1 . 10 . 1716 . 1 1 9 LYS HG2 H -5.388 6.548 -0.514 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_2dx2 1 . 10 . 1717 . 1 1 9 LYS HG3 H -5.453 7.178 1.120 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_2dx2 1 . 10 . 1718 . 1 1 9 LYS HZ1 H -7.818 9.930 0.798 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_2dx2 1 . 10 . 1719 . 1 1 9 LYS HZ2 H -6.661 10.738 -0.022 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_2dx2 1 . 10 . 1720 . 1 1 9 LYS HZ3 H -8.104 10.442 -0.726 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_2dx2 1 . 10 . 1721 . 1 1 9 LYS N N -2.795 5.045 -0.726 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_2dx2 1 . 10 . 1722 . 1 1 9 LYS NZ N -7.410 10.081 -0.102 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_2dx2 1 . 10 . 1723 . 1 1 9 LYS O O -1.440 7.764 -2.375 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_2dx2 1 . 10 . 1724 . 1 1 10 ALA C C 1.055 7.036 -2.481 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2dx2 1 . 10 . 1725 . 1 1 10 ALA CA C 0.845 7.041 -0.966 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2dx2 1 . 10 . 1726 . 1 1 10 ALA CB C 1.842 6.138 -0.236 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2dx2 1 . 10 . 1727 . 1 1 10 ALA H H -0.595 5.997 0.120 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2dx2 1 . 10 . 1728 . 1 1 10 ALA HA H 0.957 8.059 -0.595 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2dx2 1 . 10 . 1729 . 1 1 10 ALA HB1 H 2.574 6.753 0.286 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2dx2 1 . 10 . 1730 . 1 1 10 ALA HB2 H 1.309 5.516 0.484 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2dx2 1 . 10 . 1731 . 1 1 10 ALA HB3 H 2.351 5.501 -0.959 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2dx2 1 . 10 . 1732 . 1 1 10 ALA N N -0.510 6.608 -0.667 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2dx2 1 . 10 . 1733 . 1 1 10 ALA O O 1.252 8.088 -3.088 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2dx2 1 . 10 . 1734 . 1 1 11 GLY C C 1.383 4.213 -4.854 . . . 1.0 . . . . . . . . . . . . A . 11 GLY C . . . . . . . . . rr_2dx2 1 . 10 . 1735 . 1 1 11 GLY CA C 1.188 5.685 -4.483 . . . 1.0 . . . . . . . . . . . . A . 11 GLY CA . . . . . . . . . rr_2dx2 1 . 10 . 1736 . 1 1 11 GLY H H 0.845 4.989 -2.549 . . . 1.0 . . . . . . . . . . . . A . 11 GLY H . . . . . . . . . rr_2dx2 1 . 10 . 1737 . 1 1 11 GLY HA2 H 0.321 6.084 -5.009 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA2 . . . . . . . . . rr_2dx2 1 . 10 . 1738 . 1 1 11 GLY HA3 H 2.053 6.263 -4.808 . . . 1.0 . . . . . . . . . . . . A . 11 GLY HA3 . . . . . . . . . rr_2dx2 1 . 10 . 1739 . 1 1 11 GLY N N 1.006 5.840 -3.050 . . . 1.0 . . . . . . . . . . . . A . 11 GLY N . . . . . . . . . rr_2dx2 1 . 10 . 1740 . 1 1 11 GLY O O 2.504 3.706 -4.826 . . . 1.0 . . . . . . . . . . . . A . 11 GLY O . . . . . . . . . rr_2dx2 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_2dx2 _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 2dx2.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_2dx2 1 1 2dx2.mr . . DYANA/DIANA 2 'dihedral angle' 'Not applicable' 'Not applicable' 4 rr_2dx2 1 1 2dx2.mr . . unknown 3 'chemical shift' 'Not applicable' 'Not applicable' 0 rr_2dx2 1 1 2dx2.mr . . XPLOR/CNS 4 peak 'Not applicable' 'Not applicable' 0 rr_2dx2 1 1 2dx2.mr . . DYANA/DIANA 5 distance NOE simple 138 rr_2dx2 1 1 2dx2.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_2dx2 1 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID rr_2dx2 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 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_2dx2 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 ILE H1 H . . . 1 1 1 1 ILE HA H . . . . . . . 4.29 . . . . . A . 1 ILE H1 . . A . 1 ILE HA . . . 1 ILE HN . . . . . 1 ILE HA . . rr_2dx2 1 2 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE HB H . . . . . . . 3.27 . . . . . A . 1 ILE HA . . A . 1 ILE HB . . . 1 ILE HA . . . . . 1 ILE HB . . rr_2dx2 1 3 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MG H . . . . . . . 5.35 . . . . . A . 1 ILE HA . . A . 1 ILE MG . . . 1 ILE HA . . . . . 1 ILE QG2 . . rr_2dx2 1 4 1 . . 1 1 1 1 ILE HA H . . . 1 1 1 1 ILE MD H . . . . . . . 6.00 . . . . . A . 1 ILE HA . . A . 1 ILE MD . . . 1 ILE HA . . . . . 1 ILE QD1 . . rr_2dx2 1 5 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE MG H . . . . . . . 4.76 . . . . . A . 1 ILE HB . . A . 1 ILE MG . . . 1 ILE HB . . . . . 1 ILE QG2 . . rr_2dx2 1 6 1 . . 1 1 1 1 ILE HB H . . . 1 1 1 1 ILE HG12 H . . . . . . . 3.30 . . . . . A . 1 ILE HB . . A . 1 ILE HG12 . . . 1 ILE HB . . . . . 1 ILE HG12 . . rr_2dx2 1 7 1 . . 1 1 1 1 ILE HB H . . . 1 1 2 2 ASN H H . . . . . . . 3.73 . . . . . A . 1 ILE HB . . A . 2 ASN H . . . 1 ILE HB . . . . . 2 ASN HN . . rr_2dx2 1 8 1 . . 1 1 1 1 ILE MG H . . . 1 1 1 1 ILE MD H . . . . . . . 6.38 . . . . . A . 1 ILE MG . . A . 1 ILE MD . . . 1 ILE QG2 . . . . . 1 ILE QD1 . . rr_2dx2 1 9 1 . . 1 1 1 1 ILE MG H . . . 1 1 2 2 ASN H H . . . . . . . 6.53 . . . . . A . 1 ILE MG . . A . 2 ASN H . . . 1 ILE QG2 . . . . . 2 ASN HN . . rr_2dx2 1 10 1 . . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR QD H . . . . . . . 8.67 . . . . . A . 1 ILE MG . . A . 3 TYR QD . . . 1 ILE QG2 . . . . . 3 TYR QD . . rr_2dx2 1 11 1 . . 1 1 1 1 ILE MG H . . . 1 1 3 3 TYR QE H . . . . . . . 8.66 . . . . . A . 1 ILE MG . . A . 3 TYR QE . . . 1 ILE QG2 . . . . . 3 TYR QE . . rr_2dx2 1 12 1 . . 1 1 1 1 ILE HG12 H . . . 1 1 1 1 ILE HG13 H . . . . . . . 2.68 . . . . . A . 1 ILE HG12 . . A . 1 ILE HG13 . . . 1 ILE HG12 . . . . . 1 ILE HG13 . . rr_2dx2 1 13 1 . . 1 1 1 1 ILE MD H . . . 1 1 1 1 ILE HG12 H . . . . . . . 3.80 . . . . . A . 1 ILE MD . . A . 1 ILE HG12 . . . 1 ILE QD1 . . . . . 1 ILE HG12 . . rr_2dx2 1 14 1 . . 1 1 1 1 ILE MD H . . . 1 1 3 3 TYR QE H . . . . . . . 8.66 . . . . . A . 1 ILE MD . . A . 3 TYR QE . . . 1 ILE QD1 . . . . . 3 TYR QE . . rr_2dx2 1 15 1 . . 1 1 1 1 ILE MD H . . . 1 1 4 4 TRP HA H . . . . . . . 4.08 . . . . . A . 1 ILE MD . . A . 4 TRP HA . . . 1 ILE QD1 . . . . . 4 TRP HA . . rr_2dx2 1 16 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HA H . . . . . . . 3.36 . . . . . A . 2 ASN H . . A . 2 ASN HA . . . 2 ASN HN . . . . . 2 ASN HA . . rr_2dx2 1 17 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB2 H . . . . . . . 3.49 . . . . . A . 2 ASN H . . A . 2 ASN HB2 . . . 2 ASN HN . . . . . 2 ASN HB2 . . rr_2dx2 1 18 1 . . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB3 H . . . . . . . 3.39 . . . . . A . 2 ASN H . . A . 2 ASN HB3 . . . 2 ASN HN . . . . . 2 ASN HB3 . . rr_2dx2 1 19 1 . . 1 1 2 2 ASN H H . . . 1 1 3 3 TYR H H . . . . . . . 4.07 . . . . . A . 2 ASN H . . A . 3 TYR H . . . 2 ASN HN . . . . . 3 TYR HN . . rr_2dx2 1 20 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB2 H . . . . . . . 2.74 . . . . . A . 2 ASN HA . . A . 2 ASN HB2 . . . 2 ASN HA . . . . . 2 ASN HB2 . . rr_2dx2 1 21 1 . . 1 1 2 2 ASN HA H . . . 1 1 2 2 ASN HB3 H . . . . . . . 2.96 . . . . . A . 2 ASN HA . . A . 2 ASN HB3 . . . 2 ASN HA . . . . . 2 ASN HB3 . . rr_2dx2 1 22 1 . . 1 1 2 2 ASN HA H . . . 1 1 4 4 TRP H H . . . . . . . 3.98 . . . . . A . 2 ASN HA . . A . 4 TRP H . . . 2 ASN HA . . . . . 4 TRP HN . . rr_2dx2 1 23 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HB3 H . . . . . . . 2.40 . . . . . A . 2 ASN HB2 . . A . 2 ASN HB3 . . . 2 ASN HB2 . . . . . 2 ASN HB3 . . rr_2dx2 1 24 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.72 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD22 . . . 2 ASN HB2 . . . . . 2 ASN HD22 . . rr_2dx2 1 25 1 . . 1 1 2 2 ASN HB2 H . . . 1 1 3 3 TYR H H . . . . . . . 3.83 . . . . . A . 2 ASN HB2 . . A . 3 TYR H . . . 2 ASN HB2 . . . . . 3 TYR HN . . rr_2dx2 1 26 1 OR . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.38 . . . . . A . 2 ASN HB2 . . A . 5 LEU HB2 . . . 2 ASN HB2 . . . . . 5 LEU QB . . rr_2dx2 1 26 2 OR . 1 1 2 2 ASN HB2 H . . . 1 1 5 5 LEU HB3 H . . . . . . . 6.38 . . . . . A . 2 ASN HB2 . . A . 5 LEU HB3 . . . 2 ASN HB2 . . . . . 5 LEU QB . . rr_2dx2 1 27 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 5.16 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD21 . . . 2 ASN HB3 . . . . . 2 ASN HD21 . . rr_2dx2 1 28 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD22 H . . . . . . . 4.14 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD22 . . . 2 ASN HB3 . . . . . 2 ASN HD22 . . rr_2dx2 1 29 1 . . 1 1 2 2 ASN HB3 H . . . 1 1 3 3 TYR H H . . . . . . . 4.01 . . . . . A . 2 ASN HB3 . . A . 3 TYR H . . . 2 ASN HB3 . . . . . 3 TYR HN . . rr_2dx2 1 30 1 . . 1 1 2 2 ASN HD22 H . . . 1 1 2 2 ASN HD21 H . . . . . . . 2.40 . . . . . A . 2 ASN HD22 . . A . 2 ASN HD21 . . . 2 ASN HD22 . . . . . 2 ASN HD21 . . rr_2dx2 1 31 1 . . 1 1 2 2 ASN HD21 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 5.50 . . . . . A . 2 ASN HD21 . . A . 4 TRP HB2 . . . 2 ASN HD21 . . . . . 4 TRP HB2 . . rr_2dx2 1 32 1 . . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HA H . . . . . . . 2.93 . . . . . A . 3 TYR H . . A . 3 TYR HA . . . 3 TYR HN . . . . . 3 TYR HA . . rr_2dx2 1 33 1 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 3.96 . . . . . A . 3 TYR H . . A . 3 TYR HB2 . . . 3 TYR HN . . . . . 3 TYR QB . . rr_2dx2 1 33 2 OR . 1 1 3 3 TYR H H . . . 1 1 3 3 TYR HB3 H . . . . . . . 3.96 . . . . . A . 3 TYR H . . A . 3 TYR HB3 . . . 3 TYR HN . . . . . 3 TYR QB . . rr_2dx2 1 34 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR H H . . . . . . . 7.33 . . . . . A . 3 TYR QD . . A . 3 TYR H . . . 3 TYR QD . . . . . 3 TYR HN . . rr_2dx2 1 35 1 . . 1 1 3 3 TYR H H . . . 1 1 4 4 TRP H H . . . . . . . 2.68 . . . . . A . 3 TYR H . . A . 4 TRP H . . . 3 TYR HN . . . . . 4 TRP HN . . rr_2dx2 1 36 1 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 3.74 . . . . . A . 3 TYR HA . . A . 3 TYR HB2 . . . 3 TYR HA . . . . . 3 TYR QB . . rr_2dx2 1 36 2 OR . 1 1 3 3 TYR HA H . . . 1 1 3 3 TYR HB3 H . . . . . . . 3.74 . . . . . A . 3 TYR HA . . A . 3 TYR HB3 . . . 3 TYR HA . . . . . 3 TYR QB . . rr_2dx2 1 37 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HA H . . . . . . . 6.21 . . . . . A . 3 TYR QD . . A . 3 TYR HA . . . 3 TYR QD . . . . . 3 TYR HA . . rr_2dx2 1 38 1 . . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HA H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 3 TYR HA . . . 3 TYR QE . . . . . 3 TYR HA . . rr_2dx2 1 39 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 ALA H H . . . . . . . 4.32 . . . . . A . 3 TYR HA . . A . 6 ALA H . . . 3 TYR HA . . . . . 6 ALA HN . . rr_2dx2 1 40 1 . . 1 1 3 3 TYR HA H . . . 1 1 6 6 ALA MB H . . . . . . . 5.91 . . . . . A . 3 TYR HA . . A . 6 ALA MB . . . 3 TYR HA . . . . . 6 ALA QB . . rr_2dx2 1 41 1 OR . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HB2 H . . . . . . . 6.59 . . . . . A . 3 TYR QD . . A . 3 TYR HB2 . . . 3 TYR QD . . . . . 3 TYR QB . . rr_2dx2 1 41 2 OR . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR HB3 H . . . . . . . 6.59 . . . . . A . 3 TYR QD . . A . 3 TYR HB3 . . . 3 TYR QD . . . . . 3 TYR QB . . rr_2dx2 1 42 1 OR . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HB2 H . . . . . . . 8.51 . . . . . A . 3 TYR QE . . A . 3 TYR HB2 . . . 3 TYR QE . . . . . 3 TYR QB . . rr_2dx2 1 42 2 OR . 1 1 3 3 TYR QE H . . . 1 1 3 3 TYR HB3 H . . . . . . . 8.51 . . . . . A . 3 TYR QE . . A . 3 TYR HB3 . . . 3 TYR QE . . . . . 3 TYR QB . . rr_2dx2 1 43 1 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 TYR HB2 H . . . . . . . 4.52 . . . . . A . 4 TRP H . . A . 3 TYR HB2 . . . 4 TRP HN . . . . . 3 TYR QB . . rr_2dx2 1 43 2 OR . 1 1 4 4 TRP H H . . . 1 1 3 3 TYR HB3 H . . . . . . . 4.52 . . . . . A . 4 TRP H . . A . 3 TYR HB3 . . . 4 TRP HN . . . . . 3 TYR QB . . rr_2dx2 1 44 1 OR . 1 1 4 4 TRP HA H . . . 1 1 3 3 TYR HB2 H . . . . . . . 5.51 . . . . . A . 4 TRP HA . . A . 3 TYR HB2 . . . 4 TRP HA . . . . . 3 TYR QB . . rr_2dx2 1 44 2 OR . 1 1 4 4 TRP HA H . . . 1 1 3 3 TYR HB3 H . . . . . . . 5.51 . . . . . A . 4 TRP HA . . A . 3 TYR HB3 . . . 4 TRP HA . . . . . 3 TYR QB . . rr_2dx2 1 45 1 . . 1 1 3 3 TYR QD H . . . 1 1 3 3 TYR QE H . . . . . . . 7.45 . . . . . A . 3 TYR QD . . A . 3 TYR QE . . . 3 TYR QD . . . . . 3 TYR QE . . rr_2dx2 1 46 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP H H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP H . . . 3 TYR QD . . . . . 4 TRP HN . . rr_2dx2 1 47 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HA H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HA . . . 3 TYR QD . . . . . 4 TRP HA . . rr_2dx2 1 48 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HB2 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HB2 . . . 3 TYR QD . . . . . 4 TRP HB2 . . rr_2dx2 1 49 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HE3 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HE3 . . . 3 TYR QD . . . . . 4 TRP HE3 . . rr_2dx2 1 50 1 . . 1 1 3 3 TYR QD H . . . 1 1 4 4 TRP HH2 H . . . . . . . 7.64 . . . . . A . 3 TYR QD . . A . 4 TRP HH2 . . . 3 TYR QD . . . . . 4 TRP HH2 . . rr_2dx2 1 51 1 . . 1 1 3 3 TYR QE H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 7.54 . . . . . A . 3 TYR QE . . A . 4 TRP HZ3 . . . 3 TYR QE . . . . . 4 TRP HZ3 . . rr_2dx2 1 52 1 OR . 1 1 3 3 TYR QE H . . . 1 1 5 5 LEU HB2 H . . . . . . . 8.51 . . . . . A . 3 TYR QE . . A . 5 LEU HB2 . . . 3 TYR QE . . . . . 5 LEU QB . . rr_2dx2 1 52 2 OR . 1 1 3 3 TYR QE H . . . 1 1 5 5 LEU HB3 H . . . . . . . 8.51 . . . . . A . 3 TYR QE . . A . 5 LEU HB3 . . . 3 TYR QE . . . . . 5 LEU QB . . rr_2dx2 1 53 1 . . 1 1 3 3 TYR QE H . . . 1 1 6 6 ALA MB H . . . . . . . 8.66 . . . . . A . 3 TYR QE . . A . 6 ALA MB . . . 3 TYR QE . . . . . 6 ALA QB . . rr_2dx2 1 54 1 . . 1 1 3 3 TYR QE H . . . 1 1 7 7 HIS HE1 H . . . . . . . 7.63 . . . . . A . 3 TYR QE . . A . 7 HIS HE1 . . . 3 TYR QE . . . . . 7 HIS+ HE1 . . rr_2dx2 1 55 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP H H . . . . . . . 3.08 . . . . . A . 4 TRP HA . . A . 4 TRP H . . . 4 TRP HA . . . . . 4 TRP HN . . rr_2dx2 1 56 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.99 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . . . 4 TRP HN . . . . . 4 TRP HB2 . . rr_2dx2 1 57 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 3.14 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . . . 4 TRP HN . . . . . 4 TRP HB3 . . rr_2dx2 1 58 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.80 . . . . . A . 4 TRP H . . A . 4 TRP HE3 . . . 4 TRP HN . . . . . 4 TRP HE3 . . rr_2dx2 1 59 1 . . 1 1 4 4 TRP H H . . . 1 1 5 5 LEU H H . . . . . . . 2.83 . . . . . A . 4 TRP H . . A . 5 LEU H . . . 4 TRP HN . . . . . 5 LEU HN . . rr_2dx2 1 60 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.74 . . . . . A . 4 TRP HA . . A . 4 TRP HB2 . . . 4 TRP HA . . . . . 4 TRP HB2 . . rr_2dx2 1 61 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.80 . . . . . A . 4 TRP HA . . A . 4 TRP HB3 . . . 4 TRP HA . . . . . 4 TRP HB3 . . rr_2dx2 1 62 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.17 . . . . . A . 4 TRP HA . . A . 4 TRP HD1 . . . 4 TRP HA . . . . . 4 TRP HD1 . . rr_2dx2 1 63 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.67 . . . . . A . 4 TRP HA . . A . 4 TRP HE3 . . . 4 TRP HA . . . . . 4 TRP HE3 . . rr_2dx2 1 64 1 . . 1 1 4 4 TRP HA H . . . 1 1 6 6 ALA H H . . . . . . . 4.11 . . . . . A . 4 TRP HA . . A . 6 ALA H . . . 4 TRP HA . . . . . 6 ALA HN . . rr_2dx2 1 65 1 . . 1 1 4 4 TRP HA H . . . 1 1 7 7 HIS HB2 H . . . . . . . 3.27 . . . . . A . 4 TRP HA . . A . 7 HIS HB2 . . . 4 TRP HA . . . . . 7 HIS+ HB2 . . rr_2dx2 1 66 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HB3 H . . . . . . . 2.40 . . . . . A . 4 TRP HB2 . . A . 4 TRP HB3 . . . 4 TRP HB2 . . . . . 4 TRP HB3 . . rr_2dx2 1 67 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.76 . . . . . A . 4 TRP HB2 . . A . 4 TRP HD1 . . . 4 TRP HB2 . . . . . 4 TRP HD1 . . rr_2dx2 1 68 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 4.07 . . . . . A . 4 TRP HB2 . . A . 4 TRP HE3 . . . 4 TRP HB2 . . . . . 4 TRP HE3 . . rr_2dx2 1 69 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 5 5 LEU H H . . . . . . . 3.64 . . . . . A . 4 TRP HB2 . . A . 5 LEU H . . . 4 TRP HB2 . . . . . 5 LEU HN . . rr_2dx2 1 70 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.23 . . . . . A . 4 TRP HB3 . . A . 4 TRP HD1 . . . 4 TRP HB3 . . . . . 4 TRP HD1 . . rr_2dx2 1 71 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 5 5 LEU H H . . . . . . . 3.73 . . . . . A . 4 TRP HB3 . . A . 5 LEU H . . . 4 TRP HB3 . . . . . 5 LEU HN . . rr_2dx2 1 72 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE1 H . . . . . . . 3.64 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE1 . . . 4 TRP HD1 . . . . . 4 TRP HE1 . . rr_2dx2 1 73 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 6.53 . . . . . A . 4 TRP HD1 . . A . 5 LEU MD1 . . . 4 TRP HD1 . . . . . 5 LEU QD1 . . rr_2dx2 1 74 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HZ3 H . . . . . . . 3.05 . . . . . A . 4 TRP HE3 . . A . 4 TRP HZ3 . . . 4 TRP HE3 . . . . . 4 TRP HZ3 . . rr_2dx2 1 75 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HZ2 H . . . . . . . 4.66 . . . . . A . 4 TRP HE1 . . A . 4 TRP HZ2 . . . 4 TRP HE1 . . . . . 4 TRP HZ2 . . rr_2dx2 1 76 1 . . 1 1 4 4 TRP HH2 H . . . 1 1 4 4 TRP HZ2 H . . . . . . . 2.68 . . . . . A . 4 TRP HH2 . . A . 4 TRP HZ2 . . . 4 TRP HH2 . . . . . 4 TRP HZ2 . . rr_2dx2 1 77 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HA H . . . . . . . 3.02 . . . . . A . 5 LEU H . . A . 5 LEU HA . . . 5 LEU HN . . . . . 5 LEU HA . . rr_2dx2 1 78 1 OR . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 3.83 . . . . . A . 5 LEU H . . A . 5 LEU HB2 . . . 5 LEU HN . . . . . 5 LEU QB . . rr_2dx2 1 78 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU H H . . . . . . . 3.83 . . . . . A . 5 LEU HB3 . . A . 5 LEU H . . . 5 LEU QB . . . . . 5 LEU HN . . rr_2dx2 1 79 1 . . 1 1 5 5 LEU H H . . . 1 1 5 5 LEU MD1 H . . . . . . . 5.88 . . . . . A . 5 LEU H . . A . 5 LEU MD1 . . . 5 LEU HN . . . . . 5 LEU QD1 . . rr_2dx2 1 80 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU H H . . . . . . . 3.14 . . . . . A . 6 ALA H . . A . 5 LEU H . . . 6 ALA HN . . . . . 5 LEU HN . . rr_2dx2 1 81 1 . . 1 1 5 5 LEU H H . . . 1 1 7 7 HIS H H . . . . . . . 4.29 . . . . . A . 5 LEU H . . A . 7 HIS H . . . 5 LEU HN . . . . . 7 HIS+ HN . . rr_2dx2 1 82 1 OR . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 3.93 . . . . . A . 5 LEU HA . . A . 5 LEU HB2 . . . 5 LEU HA . . . . . 5 LEU QB . . rr_2dx2 1 82 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU HA H . . . . . . . 3.93 . . . . . A . 5 LEU HB3 . . A . 5 LEU HA . . . 5 LEU QB . . . . . 5 LEU HA . . rr_2dx2 1 83 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU HG H . . . . . . . 4.14 . . . . . A . 5 LEU HA . . A . 5 LEU HG . . . 5 LEU HA . . . . . 5 LEU HG . . rr_2dx2 1 84 1 . . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HA H . . . . . . . 4.54 . . . . . A . 5 LEU MD1 . . A . 5 LEU HA . . . 5 LEU QD1 . . . . . 5 LEU HA . . rr_2dx2 1 85 1 . . 1 1 5 5 LEU HA H . . . 1 1 5 5 LEU MD2 H . . . . . . . 5.35 . . . . . A . 5 LEU HA . . A . 5 LEU MD2 . . . 5 LEU HA . . . . . 5 LEU QD2 . . rr_2dx2 1 86 1 . . 1 1 6 6 ALA MB H . . . 1 1 5 5 LEU HA H . . . . . . . 6.16 . . . . . A . 6 ALA MB . . A . 5 LEU HA . . . 6 ALA QB . . . . . 5 LEU HA . . rr_2dx2 1 87 1 . . 1 1 5 5 LEU HA H . . . 1 1 7 7 HIS H H . . . . . . . 3.70 . . . . . A . 5 LEU HA . . A . 7 HIS H . . . 5 LEU HA . . . . . 7 HIS+ HN . . rr_2dx2 1 88 1 OR . 1 1 5 5 LEU MD1 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.60 . . . . . A . 5 LEU MD1 . . A . 5 LEU HB2 . . . 5 LEU QD1 . . . . . 5 LEU QB . . rr_2dx2 1 88 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD1 H . . . . . . . 6.60 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD1 . . . 5 LEU QB . . . . . 5 LEU QD1 . . rr_2dx2 1 89 1 OR . 1 1 5 5 LEU MD2 H . . . 1 1 5 5 LEU HB2 H . . . . . . . 6.01 . . . . . A . 5 LEU MD2 . . A . 5 LEU HB2 . . . 5 LEU QD2 . . . . . 5 LEU QB . . rr_2dx2 1 89 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.01 . . . . . A . 5 LEU HB3 . . A . 5 LEU MD2 . . . 5 LEU QB . . . . . 5 LEU QD2 . . rr_2dx2 1 90 1 OR . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 4.55 . . . . . A . 6 ALA H . . A . 5 LEU HB2 . . . 6 ALA HN . . . . . 5 LEU QB . . rr_2dx2 1 90 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 ALA H H . . . . . . . 4.55 . . . . . A . 5 LEU HB3 . . A . 6 ALA H . . . 5 LEU QB . . . . . 6 ALA HN . . rr_2dx2 1 91 1 OR . 1 1 6 6 ALA HA H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.48 . . . . . A . 6 ALA HA . . A . 5 LEU HB2 . . . 6 ALA HA . . . . . 5 LEU QB . . rr_2dx2 1 91 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 6 6 ALA HA H . . . . . . . 5.48 . . . . . A . 5 LEU HB3 . . A . 6 ALA HA . . . 5 LEU QB . . . . . 6 ALA HA . . rr_2dx2 1 92 1 OR . 1 1 7 7 HIS H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.82 . . . . . A . 7 HIS H . . A . 5 LEU HB2 . . . 7 HIS+ HN . . . . . 5 LEU QB . . rr_2dx2 1 92 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 7 7 HIS H H . . . . . . . 5.82 . . . . . A . 5 LEU HB3 . . A . 7 HIS H . . . 5 LEU QB . . . . . 7 HIS+ HN . . rr_2dx2 1 93 1 OR . 1 1 8 8 ALA H H . . . 1 1 5 5 LEU HB2 H . . . . . . . 5.26 . . . . . A . 8 ALA H . . A . 5 LEU HB2 . . . 8 ALA HN . . . . . 5 LEU QB . . rr_2dx2 1 93 2 OR . 1 1 5 5 LEU HB3 H . . . 1 1 8 8 ALA H H . . . . . . . 5.26 . . . . . A . 5 LEU HB3 . . A . 8 ALA H . . . 5 LEU QB . . . . . 8 ALA HN . . rr_2dx2 1 94 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU MD1 H . . . . . . . 6.53 . . . . . A . 6 ALA H . . A . 5 LEU MD1 . . . 6 ALA HN . . . . . 5 LEU QD1 . . rr_2dx2 1 95 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 LEU MD2 H . . . . . . . 6.53 . . . . . A . 6 ALA H . . A . 5 LEU MD2 . . . 6 ALA HN . . . . . 5 LEU QD2 . . rr_2dx2 1 96 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . . . 3.08 . . . . . A . 6 ALA H . . A . 6 ALA HA . . . 6 ALA HN . . . . . 6 ALA HA . . rr_2dx2 1 97 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA MB H . . . . . . . 4.11 . . . . . A . 6 ALA H . . A . 6 ALA MB . . . 6 ALA HN . . . . . 6 ALA QB . . rr_2dx2 1 98 1 . . 1 1 6 6 ALA H H . . . 1 1 7 7 HIS H H . . . . . . . 2.40 . . . . . A . 6 ALA H . . A . 7 HIS H . . . 6 ALA HN . . . . . 7 HIS+ HN . . rr_2dx2 1 99 1 . . 1 1 6 6 ALA MB H . . . 1 1 6 6 ALA HA H . . . . . . . 4.23 . . . . . A . 6 ALA MB . . A . 6 ALA HA . . . 6 ALA QB . . . . . 6 ALA HA . . rr_2dx2 1 100 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 6 ALA HA . . A . 7 HIS HD2 . . . 6 ALA HA . . . . . 7 HIS+ HD2 . . rr_2dx2 1 101 1 . . 1 1 6 6 ALA HA H . . . 1 1 8 8 ALA H H . . . . . . . 4.29 . . . . . A . 6 ALA HA . . A . 8 ALA H . . . 6 ALA HA . . . . . 8 ALA HN . . rr_2dx2 1 102 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS H H . . . . . . . 5.01 . . . . . A . 6 ALA MB . . A . 7 HIS H . . . 6 ALA QB . . . . . 7 HIS+ HN . . rr_2dx2 1 103 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.69 . . . . . A . 6 ALA MB . . A . 7 HIS HD2 . . . 6 ALA QB . . . . . 7 HIS+ HD2 . . rr_2dx2 1 104 1 . . 1 1 6 6 ALA MB H . . . 1 1 7 7 HIS HE1 H . . . . . . . 5.88 . . . . . A . 6 ALA MB . . A . 7 HIS HE1 . . . 6 ALA QB . . . . . 7 HIS+ HE1 . . rr_2dx2 1 105 1 . . 1 1 6 6 ALA MB H . . . 1 1 8 8 ALA H H . . . . . . . 6.53 . . . . . A . 6 ALA MB . . A . 8 ALA H . . . 6 ALA QB . . . . . 8 ALA HN . . rr_2dx2 1 106 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HA H . . . . . . . 2.99 . . . . . A . 7 HIS H . . A . 7 HIS HA . . . 7 HIS+ HN . . . . . 7 HIS+ HA . . rr_2dx2 1 107 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS H H . . . . . . . 3.05 . . . . . A . 7 HIS HB2 . . A . 7 HIS H . . . 7 HIS+ HB2 . . . . . 7 HIS+ HN . . rr_2dx2 1 108 1 . . 1 1 7 7 HIS H H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.35 . . . . . A . 7 HIS H . . A . 7 HIS HD2 . . . 7 HIS+ HN . . . . . 7 HIS+ HD2 . . rr_2dx2 1 109 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HA H . . . . . . . 3.45 . . . . . A . 7 HIS HB2 . . A . 7 HIS HA . . . 7 HIS+ HB2 . . . . . 7 HIS+ HA . . rr_2dx2 1 110 1 . . 1 1 7 7 HIS HA H . . . 1 1 7 7 HIS HB3 H . . . . . . . 3.18 . . . . . A . 7 HIS HA . . A . 7 HIS HB3 . . . 7 HIS+ HA . . . . . 7 HIS+ HB3 . . rr_2dx2 1 111 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HA H . . . . . . . 4.91 . . . . . A . 7 HIS HD2 . . A . 7 HIS HA . . . 7 HIS+ HD2 . . . . . 7 HIS+ HA . . rr_2dx2 1 112 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 2.40 . . . . . A . 7 HIS HB2 . . A . 7 HIS HB3 . . . 7 HIS+ HB2 . . . . . 7 HIS+ HB3 . . rr_2dx2 1 113 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 4.60 . . . . . A . 7 HIS HB2 . . A . 7 HIS HD2 . . . 7 HIS+ HB2 . . . . . 7 HIS+ HD2 . . rr_2dx2 1 114 1 . . 1 1 7 7 HIS HB2 H . . . 1 1 8 8 ALA H H . . . . . . . 4.01 . . . . . A . 7 HIS HB2 . . A . 8 ALA H . . . 7 HIS+ HB2 . . . . . 8 ALA HN . . rr_2dx2 1 115 1 . . 1 1 7 7 HIS HD2 H . . . 1 1 7 7 HIS HB3 H . . . . . . . 4.35 . . . . . A . 7 HIS HD2 . . A . 7 HIS HB3 . . . 7 HIS+ HD2 . . . . . 7 HIS+ HB3 . . rr_2dx2 1 116 1 . . 1 1 7 7 HIS HE1 H . . . 1 1 7 7 HIS HD2 H . . . . . . . 5.50 . . . . . A . 7 HIS HE1 . . A . 7 HIS HD2 . . . 7 HIS+ HE1 . . . . . 7 HIS+ HD2 . . rr_2dx2 1 117 1 . . 1 1 7 7 HIS HE1 H . . . 1 1 10 10 ALA MB H . . . . . . . 6.00 . . . . . A . 7 HIS HE1 . . A . 10 ALA MB . . . 7 HIS+ HE1 . . . . . 10 ALA QB . . rr_2dx2 1 118 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA HA H . . . . . . . 3.21 . . . . . A . 8 ALA H . . A . 8 ALA HA . . . 8 ALA HN . . . . . 8 ALA HA . . rr_2dx2 1 119 1 . . 1 1 8 8 ALA H H . . . 1 1 8 8 ALA MB H . . . . . . . 4.33 . . . . . A . 8 ALA H . . A . 8 ALA MB . . . 8 ALA HN . . . . . 8 ALA QB . . rr_2dx2 1 120 1 . . 1 1 8 8 ALA H H . . . 1 1 9 9 LYS H H . . . . . . . 3.39 . . . . . A . 8 ALA H . . A . 9 LYS H . . . 8 ALA HN . . . . . 9 LYS+ HN . . rr_2dx2 1 121 1 . . 1 1 8 8 ALA HA H . . . 1 1 8 8 ALA MB H . . . . . . . 4.79 . . . . . A . 8 ALA HA . . A . 8 ALA MB . . . 8 ALA HA . . . . . 8 ALA QB . . rr_2dx2 1 122 1 . . 1 1 10 10 ALA MB H . . . 1 1 8 8 ALA HA H . . . . . . . 5.60 . . . . . A . 10 ALA MB . . A . 8 ALA HA . . . 10 ALA QB . . . . . 8 ALA HA . . rr_2dx2 1 123 1 . . 1 1 8 8 ALA MB H . . . 1 1 9 9 LYS H H . . . . . . . 5.72 . . . . . A . 8 ALA MB . . A . 9 LYS H . . . 8 ALA QB . . . . . 9 LYS+ HN . . rr_2dx2 1 124 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HA H . . . . . . . 2.52 . . . . . A . 9 LYS H . . A . 9 LYS HA . . . 9 LYS+ HN . . . . . 9 LYS+ HA . . rr_2dx2 1 125 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.27 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 LYS+ HN . . . . . 9 LYS+ HB2 . . rr_2dx2 1 126 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . . . 3.61 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 LYS+ HN . . . . . 9 LYS+ HB3 . . rr_2dx2 1 127 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.60 . . . . . A . 9 LYS H . . A . 9 LYS HG2 . . . 9 LYS+ HN . . . . . 9 LYS+ QG . . rr_2dx2 1 127 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . . . 5.60 . . . . . A . 9 LYS H . . A . 9 LYS HG3 . . . 9 LYS+ HN . . . . . 9 LYS+ QG . . rr_2dx2 1 128 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . . . 3.21 . . . . . A . 9 LYS HA . . A . 9 LYS HB2 . . . 9 LYS+ HA . . . . . 9 LYS+ HB2 . . rr_2dx2 1 129 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . . . 2.71 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . . . 9 LYS+ HA . . . . . 9 LYS+ HB3 . . rr_2dx2 1 130 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . . . 6.38 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx2 1 130 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . . . 6.38 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 LYS+ HA . . . . . 9 LYS+ QG . . rr_2dx2 1 131 1 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.76 . . . . . A . 9 LYS HB2 . . A . 9 LYS HG2 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QG . . rr_2dx2 1 131 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.76 . . . . . A . 9 LYS HB2 . . A . 9 LYS HG3 . . . 9 LYS+ HB2 . . . . . 9 LYS+ QG . . rr_2dx2 1 132 1 . . 1 1 9 9 LYS HB2 H . . . 1 1 10 10 ALA H H . . . . . . . 3.98 . . . . . A . 9 LYS HB2 . . A . 10 ALA H . . . 9 LYS+ HB2 . . . . . 10 ALA HN . . rr_2dx2 1 133 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 4.64 . . . . . A . 9 LYS HB3 . . A . 9 LYS HG2 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QG . . rr_2dx2 1 133 2 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HG3 H . . . . . . . 4.64 . . . . . A . 9 LYS HB3 . . A . 9 LYS HG3 . . . 9 LYS+ HB3 . . . . . 9 LYS+ QG . . rr_2dx2 1 134 1 . . 1 1 9 9 LYS HB3 H . . . 1 1 10 10 ALA H H . . . . . . . 3.27 . . . . . A . 9 LYS HB3 . . A . 10 ALA H . . . 9 LYS+ HB3 . . . . . 10 ALA HN . . rr_2dx2 1 135 1 OR . 1 1 9 9 LYS HD2 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.67 . . . . . A . 9 LYS HD2 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx2 1 135 2 OR . 1 1 9 9 LYS HD3 H . . . 1 1 9 9 LYS HG2 H . . . . . . . 5.67 . . . . . A . 9 LYS HD3 . . A . 9 LYS HG2 . . . 9 LYS+ QD . . . . . 9 LYS+ QG . . rr_2dx2 1 135 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HD2 H . . . . . . . 5.67 . . . . . A . 9 LYS HG3 . . A . 9 LYS HD2 . . . 9 LYS+ QG . . . . . 9 LYS+ QD . . rr_2dx2 1 135 4 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HD3 H . . . . . . . 5.67 . . . . . A . 9 LYS HG3 . . A . 9 LYS HD3 . . . 9 LYS+ QG . . . . . 9 LYS+ QD . . rr_2dx2 1 136 1 . . 1 1 10 10 ALA MB H . . . 1 1 10 10 ALA H H . . . . . . . 5.54 . . . . . A . 10 ALA MB . . A . 10 ALA H . . . 10 ALA QB . . . . . 10 ALA HN . . rr_2dx2 1 137 1 . . 1 1 10 10 ALA MB H . . . 1 1 10 10 ALA HA H . . . . . . . 4.64 . . . . . A . 10 ALA MB . . A . 10 ALA HA . . . 10 ALA QB . . . . . 10 ALA HA . . rr_2dx2 1 138 1 OR . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA2 H . . . . . . . 6.13 . . . . . A . 11 GLY H . . A . 11 GLY HA2 . . . 11 GLY HN . . . . . 11 GLY QA . . rr_2dx2 1 138 2 OR . 1 1 11 11 GLY H H . . . 1 1 11 11 GLY HA3 H . . . . . . . 6.13 . . . . . A . 11 GLY H . . A . 11 GLY HA3 . . . 11 GLY HN . . . . . 11 GLY QA . . rr_2dx2 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 'peak 80' 2 40 2 52 rr_2dx2 1 2 'peak 133' 3 40 3 52 rr_2dx2 1 3 'peak 135' 4 40 4 52 rr_2dx2 1 4 'peak 134' 5 40 5 52 rr_2dx2 1 5 '1 ILE HA 2 ASN HN 2.77 # peak 24' 6 1 6 53 rr_2dx2 1 6 'peak 144' 7 40 7 52 rr_2dx2 1 7 'peak 153' 8 40 8 52 rr_2dx2 1 8 'peak 83' 9 40 9 52 rr_2dx2 1 9 'peak 152' 10 40 10 52 rr_2dx2 1 10 'peak 107' 11 40 11 52 rr_2dx2 1 11 'peak 108' 12 40 12 52 rr_2dx2 1 12 'peak 109' 13 40 13 52 rr_2dx2 1 13 'peak 150' 14 40 14 52 rr_2dx2 1 14 'peak 151' 15 40 15 52 rr_2dx2 1 15 'peak 106' 16 40 16 52 rr_2dx2 1 16 'peak 154' 17 40 17 52 rr_2dx2 1 17 'peak 23' 18 40 18 52 rr_2dx2 1 18 'peak 75' 19 40 19 52 rr_2dx2 1 19 'peak 70' 20 40 20 52 rr_2dx2 1 20 'peak 4' 21 40 21 52 rr_2dx2 1 21 'peak 111' 22 40 22 52 rr_2dx2 1 22 'peak 110' 23 40 23 52 rr_2dx2 1 23 '2 ASN HA 3 TYR HN 2.59 # peak 25' 24 1 24 53 rr_2dx2 1 24 'peak 29' 25 40 25 52 rr_2dx2 1 25 'peak 143' 26 40 26 52 rr_2dx2 1 26 'peak 77' 27 40 27 52 rr_2dx2 1 27 'peak 76' 28 40 28 52 rr_2dx2 1 28 'peak 142' 29 40 29 52 rr_2dx2 1 29 'peak 74' 30 40 30 52 rr_2dx2 1 30 'peak 72' 31 40 31 52 rr_2dx2 1 31 'peak 71' 32 40 32 52 rr_2dx2 1 32 '2 ASN HB3 7 HIS+ HD2 4.88 # peak 73' 33 1 33 53 rr_2dx2 1 33 'peak 18' 34 40 34 52 rr_2dx2 1 34 'peak 78' 35 40 35 52 rr_2dx2 1 35 'peak 26' 36 40 36 52 rr_2dx2 1 36 'peak 66' 37 40 37 52 rr_2dx2 1 37 'peak 1' 38 40 38 52 rr_2dx2 1 38 'peak 6' 39 40 39 52 rr_2dx2 1 39 'peak 119' 40 40 40 52 rr_2dx2 1 40 'peak 41' 41 40 41 52 rr_2dx2 1 41 'peak 50' 42 40 42 52 rr_2dx2 1 42 '3 TYR HA 4 TRP HN 2.62 # peak 39' 43 1 43 53 rr_2dx2 1 43 '3 TYR HA 4 TRP HB3 4.04 # peak 118' 44 1 44 53 rr_2dx2 1 44 'peak 40' 45 40 45 52 rr_2dx2 1 45 'peak 124' 46 40 46 52 rr_2dx2 1 46 'peak 68' 47 40 47 52 rr_2dx2 1 47 'peak 69' 48 40 48 52 rr_2dx2 1 48 'peak 67' 49 40 49 52 rr_2dx2 1 49 'peak 117' 50 40 50 52 rr_2dx2 1 50 'peak 19' 51 40 51 52 rr_2dx2 1 51 'peak 8' 52 40 52 52 rr_2dx2 1 52 'peak 38' 53 40 53 52 rr_2dx2 1 53 'peak 62' 54 40 54 52 rr_2dx2 1 54 'peak 22' 55 40 55 52 rr_2dx2 1 55 'peak 21' 56 40 56 52 rr_2dx2 1 56 'peak 20' 57 40 57 52 rr_2dx2 1 57 'peak 90' 58 40 58 52 rr_2dx2 1 58 'peak 100' 59 40 59 52 rr_2dx2 1 59 'peak 155' 60 40 60 52 rr_2dx2 1 60 'peak 32' 61 40 61 52 rr_2dx2 1 61 'peak 57' 62 40 62 52 rr_2dx2 1 62 'peak 51' 63 40 63 52 rr_2dx2 1 63 '4 TRP HN 4 TRP HD1 4.79 # peak 9' 64 1 64 53 rr_2dx2 1 64 'peak 10' 65 40 65 52 rr_2dx2 1 65 'peak 11' 66 40 66 52 rr_2dx2 1 66 'peak 113' 67 40 67 52 rr_2dx2 1 67 'peak 112' 68 40 68 52 rr_2dx2 1 68 'peak 36' 69 40 69 52 rr_2dx2 1 69 'peak 35' 70 40 70 52 rr_2dx2 1 70 '4 TRP HA 5 LEU HN 2.65 # peak 34' 71 1 71 53 rr_2dx2 1 71 '4 TRP HA 5 LEU QB 5.26 # peak 137' 72 1 72 53 rr_2dx2 1 72 'peak 33' 73 40 73 52 rr_2dx2 1 73 '4 TRP HA 6 ALA HA 3.73 # peak 139' 74 1 74 53 rr_2dx2 1 74 'peak 116' 75 40 75 52 rr_2dx2 1 75 '4 TRP HA 9 LYS+ QG 6.38 # peak 138' 76 1 76 53 rr_2dx2 1 76 'peak 140' 77 40 77 52 rr_2dx2 1 77 'peak 60' 78 40 78 52 rr_2dx2 1 78 'peak 59' 79 40 79 52 rr_2dx2 1 79 'peak 58' 80 40 80 52 rr_2dx2 1 80 'peak 54' 81 40 81 52 rr_2dx2 1 81 '4 TRP HB3 4 TRP HE3 3.76 # peak 53' 82 1 82 53 rr_2dx2 1 82 'peak 52' 83 40 83 52 rr_2dx2 1 83 'peak 2' 84 40 84 52 rr_2dx2 1 84 'peak 105' 85 40 85 52 rr_2dx2 1 85 'peak 17' 86 40 86 52 rr_2dx2 1 86 'peak 3' 87 40 87 52 rr_2dx2 1 87 'peak 16' 88 40 88 52 rr_2dx2 1 88 'peak 45' 89 40 89 52 rr_2dx2 1 89 'peak 89' 90 40 90 52 rr_2dx2 1 90 'peak 104' 91 40 91 52 rr_2dx2 1 91 'peak 12' 92 40 92 52 rr_2dx2 1 92 'peak 13' 93 40 93 52 rr_2dx2 1 93 'peak 122' 94 40 94 52 rr_2dx2 1 94 'peak 128' 95 40 95 52 rr_2dx2 1 95 'peak 132' 96 40 96 52 rr_2dx2 1 96 'peak 131' 97 40 97 52 rr_2dx2 1 97 '5 LEU HA 6 ALA HN 2.62 # peak 44' 98 1 98 53 rr_2dx2 1 98 'peak 129' 99 40 99 52 rr_2dx2 1 99 'peak 43' 100 40 100 52 rr_2dx2 1 100 'peak 149' 101 40 101 52 rr_2dx2 1 101 'peak 148' 102 40 102 52 rr_2dx2 1 102 'peak 88' 103 40 103 52 rr_2dx2 1 103 'peak 136' 104 40 104 52 rr_2dx2 1 104 'peak 87' 105 40 105 52 rr_2dx2 1 105 'peak 86' 106 40 106 52 rr_2dx2 1 106 'peak 103' 107 40 107 52 rr_2dx2 1 107 'peak 102' 108 40 108 52 rr_2dx2 1 108 'peak 48' 109 40 109 52 rr_2dx2 1 109 'peak 98' 110 40 110 52 rr_2dx2 1 110 'peak 7' 111 40 111 52 rr_2dx2 1 111 'peak 130' 112 40 112 52 rr_2dx2 1 112 '6 ALA HA 7 HIS+ HN 2.59 # peak 47' 113 1 113 53 rr_2dx2 1 113 'peak 49' 114 40 114 52 rr_2dx2 1 114 'peak 46' 115 40 115 52 rr_2dx2 1 115 'peak 97' 116 40 116 52 rr_2dx2 1 116 'peak 99' 117 40 117 52 rr_2dx2 1 117 'peak 101' 118 40 118 52 rr_2dx2 1 118 'peak 96' 119 40 119 52 rr_2dx2 1 119 'peak 31' 120 40 120 52 rr_2dx2 1 120 'peak 64' 121 40 121 52 rr_2dx2 1 121 '7 HIS+ HN 7 HIS+ HB3 3.36 # peak 56' 122 1 122 53 rr_2dx2 1 122 'peak 15' 123 40 123 52 rr_2dx2 1 123 'peak 115' 124 40 124 52 rr_2dx2 1 124 'peak 114' 125 40 125 52 rr_2dx2 1 125 'peak 37' 126 40 126 52 rr_2dx2 1 126 '7 HIS+ HA 8 ALA HN 2.71 # peak 30' 127 1 127 53 rr_2dx2 1 127 'peak 141' 128 40 128 52 rr_2dx2 1 128 'peak 65' 129 40 129 52 rr_2dx2 1 129 'peak 63' 130 40 130 52 rr_2dx2 1 130 'peak 61' 131 40 131 52 rr_2dx2 1 131 '7 HIS+ HB3 8 ALA HN 3.73 # peak 55' 132 1 132 53 rr_2dx2 1 132 'peak 14' 133 40 133 52 rr_2dx2 1 133 'peak 92' 134 40 134 52 rr_2dx2 1 134 'peak 42' 135 40 135 52 rr_2dx2 1 135 'peak 95' 136 40 136 52 rr_2dx2 1 136 'peak 5' 137 40 137 52 rr_2dx2 1 137 'peak 127' 138 40 138 52 rr_2dx2 1 138 'peak 126' 139 40 139 52 rr_2dx2 1 139 'peak 94' 140 40 140 52 rr_2dx2 1 140 'peak 28' 141 40 141 52 rr_2dx2 1 141 'peak 85' 142 40 142 52 rr_2dx2 1 142 'peak 82' 143 40 143 52 rr_2dx2 1 143 'peak 91' 144 40 144 52 rr_2dx2 1 144 'peak 121' 145 40 145 52 rr_2dx2 1 145 'peak 120' 146 40 146 52 rr_2dx2 1 146 'peak 125' 147 40 147 52 rr_2dx2 1 147 '9 LYS+ HA 10 ALA HN 2.77 # peak 27' 148 1 148 53 rr_2dx2 1 148 'peak 146' 149 40 149 52 rr_2dx2 1 149 'peak 84' 150 40 150 52 rr_2dx2 1 150 'peak 145' 151 40 151 52 rr_2dx2 1 151 'peak 81' 152 40 152 52 rr_2dx2 1 152 'peak 147' 153 40 153 52 rr_2dx2 1 153 'peak 93' 154 40 154 52 rr_2dx2 1 154 'peak 123' 155 40 155 52 rr_2dx2 1 155 'peak 79' 156 40 156 52 rr_2dx2 1 stop_ save_ save_DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_2 _Torsion_angle_constraint_list.Entry_ID rr_2dx2 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_2dx2 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 PHI . 1 1 2 2 ASN C C . . 1 1 3 3 TYR N N . . 1 1 3 3 TYR CA C . . 1 1 3 3 TYR C C . -95.0 -35.0 . . . A . 2 ASN C . . A . 3 TYR N . . A . 3 TYR CA . . A . 3 TYR C . . . 3 TYR . . . . . . 3 TYR . . . . . . 3 TYR . . . . . . 3 TYR . . . rr_2dx2 1 2 PHI . 1 1 5 5 LEU C C . . 1 1 6 6 ALA N N . . 1 1 6 6 ALA CA C . . 1 1 6 6 ALA C C . -95.0 -35.0 . . . A . 5 LEU C . . A . 6 ALA N . . A . 6 ALA CA . . A . 6 ALA C . . . 6 ALA . . . . . . 6 ALA . . . . . . 6 ALA . . . . . . 6 ALA . . . rr_2dx2 1 3 PHI . 1 1 7 7 HIS C C . . 1 1 8 8 ALA N N . . 1 1 8 8 ALA CA C . . 1 1 8 8 ALA C C . -95.0 -35.0 . . . A . 7 HIS C . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . . . 8 ALA . . . . . . 8 ALA . . . . . . 8 ALA . . . . . . 8 ALA . . . rr_2dx2 1 4 PHI . 1 1 9 9 LYS C C . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . -95.0 -35.0 . . . A . 9 LYS C . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . . 10 ALA . . . . . . 10 ALA . . . . . . 10 ALA . . . . . . 10 ALA . . . rr_2dx2 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_2dx2 _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 DE NOVO PROTEIN 23-AUG-06 2DX2 *TITLE NMR STRUCTURE OF TP (TARGET PEPTIDE): MONOMERIC 3_10 HELIX *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TARGET PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED AND *SOURCE 4 DOES NOT APPEAR TO OCCUR IN NATURE. THIS SEQUENCE WAS *SOURCE 5 DESIGNED BASED ON RESIDUES 101-111 OF HUMAN ALPHA- *SOURCE 6 LACTALBUMIN. *KEYWDS 3-10 HELIX *EXPDTA NMR, 10 STRUCTURES *AUTHOR A.TAMURA, M.ARAKI *REVDAT 1 02-JAN-07 2DX2 0' save_